smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=O)CN1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000007230671 1080514551 /nfs/dbraw/zinc/51/45/51/1080514551.db2.gz FIZGUDGJTBHGRS-UHFFFAOYSA-N -1 1 416.503 0.991 20 0 HCADMM O=C(Cn1ccc(=O)[nH]c1=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000009904636 1078098068 /nfs/dbraw/zinc/09/80/68/1078098068.db2.gz ODIQBNRGEOXYNZ-UHFFFAOYSA-N -1 1 400.416 0.976 20 0 HCADMM COC(=O)[C@@H](F)C(Nc1ccc2c(C)cc(=O)oc2c1)=C1C(=O)[N-]C(=S)NC1=O ZINC000009955004 1080382129 /nfs/dbraw/zinc/38/21/29/1080382129.db2.gz MXJAWPMOFKUSCJ-ZDUSSCGKSA-N -1 1 419.390 0.809 20 0 HCADMM COC(=O)[C@H](F)C(Nc1ccc2c(C)cc(=O)oc2c1)=C1C(=O)[N-]C(=S)NC1=O ZINC000009955005 1080382354 /nfs/dbraw/zinc/38/23/54/1080382354.db2.gz MXJAWPMOFKUSCJ-CYBMUJFWSA-N -1 1 419.390 0.809 20 0 HCADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CCN(c2nccs2)CC1 ZINC000011188362 1079008478 /nfs/dbraw/zinc/00/84/78/1079008478.db2.gz FGMCSMNDGAGLOX-UHFFFAOYSA-N -1 1 418.523 0.653 20 0 HCADMM CCCc1cc(=O)[n-]c(SCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)n1 ZINC000011443280 1079458630 /nfs/dbraw/zinc/45/86/30/1079458630.db2.gz GCMNYGKYMBZFKZ-UHFFFAOYSA-N -1 1 410.521 0.821 20 0 HCADMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)cc1S(N)(=O)=O ZINC000012648455 1079457501 /nfs/dbraw/zinc/45/75/01/1079457501.db2.gz YUQLLZJJYSDUHU-UHFFFAOYSA-N -1 1 411.461 0.662 20 0 HCADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)Nc1cccc(S(C)(=O)=O)c1 ZINC000012829674 1080387185 /nfs/dbraw/zinc/38/71/85/1080387185.db2.gz ATSBKXXLOQKOHX-UHFFFAOYSA-N -1 1 420.491 0.890 20 0 HCADMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)c(S(N)(=O)=O)c2)cc1 ZINC000015245163 1079468331 /nfs/dbraw/zinc/46/83/31/1079468331.db2.gz XMBNJNPPBRDQEY-UHFFFAOYSA-N -1 1 400.434 0.930 20 0 HCADMM COC(=O)C[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(Cl)cc1 ZINC000015326190 1079470119 /nfs/dbraw/zinc/47/01/19/1079470119.db2.gz OAOPGXXYFOXCSN-LBPRGKRZSA-N -1 1 415.855 0.320 20 0 HCADMM C[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(Br)cc1 ZINC000015330092 1079470228 /nfs/dbraw/zinc/47/02/28/1079470228.db2.gz QYSBVAZIVRLLEC-SECBINFHSA-N -1 1 402.270 0.886 20 0 HCADMM C[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(Br)cc1 ZINC000015330093 1079470044 /nfs/dbraw/zinc/47/00/44/1079470044.db2.gz QYSBVAZIVRLLEC-VIFPVBQESA-N -1 1 402.270 0.886 20 0 HCADMM CC(C)OC(=O)C[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccccc1 ZINC000015361958 1079470762 /nfs/dbraw/zinc/47/07/62/1079470762.db2.gz DFWMWZONDQVMOT-CQSZACIVSA-N -1 1 409.464 0.445 20 0 HCADMM CC(C)OC(=O)C[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccccc1 ZINC000015361959 1079470681 /nfs/dbraw/zinc/47/06/81/1079470681.db2.gz DFWMWZONDQVMOT-AWEZNQCLSA-N -1 1 409.464 0.445 20 0 HCADMM Cn1cc(S(=O)(=O)[N-]Cc2ccc(C(=O)N3CCCCC3)cc2)c(=O)n(C)c1=O ZINC000015362333 1079470741 /nfs/dbraw/zinc/47/07/41/1079470741.db2.gz YOXDKTDJLXDPRN-UHFFFAOYSA-N -1 1 420.491 0.189 20 0 HCADMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1S(N)(=O)=O ZINC000016097749 1079475831 /nfs/dbraw/zinc/47/58/31/1079475831.db2.gz GDMSIYICKZRFDD-UHFFFAOYSA-N -1 1 400.434 0.915 20 0 HCADMM O=C(CNC(=O)c1ccccc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000016492861 1079479060 /nfs/dbraw/zinc/47/90/60/1079479060.db2.gz BVZXDWNTXWAOIU-UHFFFAOYSA-N -1 1 419.459 0.782 20 0 HCADMM O=C(CNC(=O)c1ccco1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000016492873 1079478989 /nfs/dbraw/zinc/47/89/89/1079478989.db2.gz ZKEFAUSUJSUALH-UHFFFAOYSA-N -1 1 409.420 0.375 20 0 HCADMM Cn1cc(S(=O)(=O)[N-]CCCCOc2ccc(Cl)cc2)c(=O)n(C)c1=O ZINC000016975876 1079483048 /nfs/dbraw/zinc/48/30/48/1079483048.db2.gz ZVWPCUKGEUUEEU-UHFFFAOYSA-N -1 1 401.872 0.875 20 0 HCADMM COC(=O)Cc1c(C(=O)OC)sc2[n-]c(CN3CCN(C(C)=O)CC3)nc(=O)c12 ZINC000017283548 1079484087 /nfs/dbraw/zinc/48/40/87/1079484087.db2.gz DTPRQLNKHLCHIZ-UHFFFAOYSA-N -1 1 422.463 0.151 20 0 HCADMM COC(=O)Cc1c(C(=O)OC)sc2[n-]c(CSc3nnnn3C)nc(=O)c12 ZINC000017284020 1079484050 /nfs/dbraw/zinc/48/40/50/1079484050.db2.gz HVOZFTPJJSNFOJ-UHFFFAOYSA-N -1 1 410.437 0.303 20 0 HCADMM COC(=O)Cc1c(C(=O)OC)sc2[n-]c(CN(C)CC(=O)NC(C)C)nc(=O)c12 ZINC000017306854 1079484868 /nfs/dbraw/zinc/48/48/68/1079484868.db2.gz STDJCZCOEVHYMW-UHFFFAOYSA-N -1 1 424.479 0.443 20 0 HCADMM COC(=O)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000017411718 1079484804 /nfs/dbraw/zinc/48/48/04/1079484804.db2.gz VTKSEEARSIDCPB-UHFFFAOYSA-N -1 1 404.404 0.560 20 0 HCADMM COCCNC(=O)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000017814905 1079486047 /nfs/dbraw/zinc/48/60/47/1079486047.db2.gz DZSCAEJZIBSPGC-UHFFFAOYSA-N -1 1 421.475 0.988 20 0 HCADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)N1CCNC(=O)C1 ZINC000017818282 1079486177 /nfs/dbraw/zinc/48/61/77/1079486177.db2.gz UEPGYNAINFIUQN-UHFFFAOYSA-N -1 1 415.431 0.229 20 0 HCADMM COC(=O)Cc1c(C(=O)OC)sc2[n-]c(CSc3nncn3C)nc(=O)c12 ZINC000017838586 1079486794 /nfs/dbraw/zinc/48/67/94/1079486794.db2.gz GELZFDOGLDLRSO-UHFFFAOYSA-N -1 1 409.449 0.908 20 0 HCADMM O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)OCC(=O)c1ccc([O-])cc1O ZINC000018347377 1078018395 /nfs/dbraw/zinc/01/83/95/1078018395.db2.gz JMJMDLLPENMCGQ-UHFFFAOYSA-N -1 1 410.382 0.896 20 0 HCADMM COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)[N-]c2nncs2)c1OC ZINC000021216218 1079495519 /nfs/dbraw/zinc/49/55/19/1079495519.db2.gz SDIHJSHSCUOUOS-UHFFFAOYSA-N -1 1 414.465 0.829 20 0 HCADMM COC(=O)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)cc1 ZINC000021866925 1079499216 /nfs/dbraw/zinc/49/92/16/1079499216.db2.gz XEOUSHZZPVVBBE-UHFFFAOYSA-N -1 1 417.443 0.909 20 0 HCADMM Cc1ccc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1S(N)(=O)=O ZINC000022410810 1079500668 /nfs/dbraw/zinc/50/06/68/1079500668.db2.gz PHDIICHPHGSAIF-UHFFFAOYSA-N -1 1 405.479 0.091 20 0 HCADMM CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)ccc1C ZINC000022410848 1079500815 /nfs/dbraw/zinc/50/08/15/1079500815.db2.gz YOUMEKTWUKLAIB-UHFFFAOYSA-N -1 1 419.506 0.351 20 0 HCADMM Cn1cc(S(=O)(=O)[N-]Cc2ccc(OCC(F)(F)F)cc2)c(=O)n(C)c1=O ZINC000023440934 1079510087 /nfs/dbraw/zinc/51/00/87/1079510087.db2.gz PJEUVNVAMPHHGL-UHFFFAOYSA-N -1 1 407.370 0.504 20 0 HCADMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)c(S(N)(=O)=O)c2)c1 ZINC000024259914 1079514918 /nfs/dbraw/zinc/51/49/18/1079514918.db2.gz PDRXRSPHFXARGC-UHFFFAOYSA-N -1 1 400.434 0.930 20 0 HCADMM COC(=O)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1 ZINC000024261870 1079514884 /nfs/dbraw/zinc/51/48/84/1079514884.db2.gz SJOFMQMGIBLGNG-UHFFFAOYSA-N -1 1 419.415 0.721 20 0 HCADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)o1 ZINC000024687980 1079521449 /nfs/dbraw/zinc/52/14/49/1079521449.db2.gz DDUPPGASXYQQMJ-GFCCVEGCSA-N -1 1 421.541 0.900 20 0 HCADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)o1 ZINC000024687983 1079521521 /nfs/dbraw/zinc/52/15/21/1079521521.db2.gz DDUPPGASXYQQMJ-LBPRGKRZSA-N -1 1 421.541 0.900 20 0 HCADMM COC(=O)COc1cccc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)c1 ZINC000024957390 1079529675 /nfs/dbraw/zinc/52/96/75/1079529675.db2.gz OTDIRDQRZGYJNF-UHFFFAOYSA-N -1 1 400.434 0.687 20 0 HCADMM COC(=O)COc1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1 ZINC000024957887 1079529750 /nfs/dbraw/zinc/52/97/50/1079529750.db2.gz KDVXTAYJCLORRE-UHFFFAOYSA-N -1 1 405.388 0.569 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(NS(C)(=O)=O)c(OC)c2)o1 ZINC000025146168 1079567506 /nfs/dbraw/zinc/56/75/06/1079567506.db2.gz NXJAKYLKMRKBFH-UHFFFAOYSA-N -1 1 403.438 0.820 20 0 HCADMM COC(=O)C1(NC(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)CCCCC1 ZINC000025176669 1079568345 /nfs/dbraw/zinc/56/83/45/1079568345.db2.gz WGTFBJNGPBAXKT-UHFFFAOYSA-N -1 1 406.483 0.840 20 0 HCADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NCc2cccc(S(N)(=O)=O)c2)o1 ZINC000025273086 1079571535 /nfs/dbraw/zinc/57/15/35/1079571535.db2.gz ROIFKBDZVIJZCW-UHFFFAOYSA-N -1 1 415.493 0.934 20 0 HCADMM CCOC(=O)c1ccc(N2CCN(CC(=O)N[N-]C(=O)c3cccs3)CC2)nc1 ZINC000026138320 1078035337 /nfs/dbraw/zinc/03/53/37/1078035337.db2.gz AIVKNSAFWVJMRO-UHFFFAOYSA-N -1 1 417.491 0.903 20 0 HCADMM CCNC(=O)COc1ccc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1 ZINC000026548502 1079594127 /nfs/dbraw/zinc/59/41/27/1079594127.db2.gz SXBCMFCROBXJGK-UHFFFAOYSA-N -1 1 413.477 0.650 20 0 HCADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)o1 ZINC000027269183 1079605385 /nfs/dbraw/zinc/60/53/85/1079605385.db2.gz SPFJTBSPTRQNDG-UHFFFAOYSA-N -1 1 421.479 0.940 20 0 HCADMM C[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000028045233 1079624603 /nfs/dbraw/zinc/62/46/03/1079624603.db2.gz MORFMZNZGFVNQF-LLVKDONJSA-N -1 1 406.464 0.472 20 0 HCADMM Cn1cnc(S(=O)(=O)[N-]CCNS(=O)(=O)c2cccc(Cl)c2)c1Cl ZINC000028051441 1079897337 /nfs/dbraw/zinc/89/73/37/1079897337.db2.gz VUKFIEPUCURQLV-UHFFFAOYSA-N -1 1 413.308 0.984 20 0 HCADMM O=S(=O)([N-]c1ccc(-n2cnnn2)cc1)c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000028198474 1079630400 /nfs/dbraw/zinc/63/04/00/1079630400.db2.gz SAQYZYXFOFTBSJ-UHFFFAOYSA-N -1 1 420.476 0.904 20 0 HCADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc(NS(C)(=O)=O)c2)cc1 ZINC000028250660 1079630262 /nfs/dbraw/zinc/63/02/62/1079630262.db2.gz URVCQFSXHHHULN-UHFFFAOYSA-N -1 1 419.506 0.767 20 0 HCADMM COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2ccc(OCC(N)=O)cc2)c1 ZINC000028256512 1079630343 /nfs/dbraw/zinc/63/03/43/1079630343.db2.gz USGARBIJZMWSJI-UHFFFAOYSA-N -1 1 422.415 0.925 20 0 HCADMM CN(C)S(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCC(N)=O)cc2)c1 ZINC000028256952 1079630449 /nfs/dbraw/zinc/63/04/49/1079630449.db2.gz FXUTTYAVSIUGSI-UHFFFAOYSA-N -1 1 413.477 0.602 20 0 HCADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCc1ccc2c(c1)OCO2 ZINC000028939714 1079638495 /nfs/dbraw/zinc/63/84/95/1079638495.db2.gz ODEFDCYZJKEJKX-UHFFFAOYSA-N -1 1 400.435 0.893 20 0 HCADMM O=C1[N-]C(=S)NC(=O)C1=CNNS(=O)(=O)c1ccc(Br)cc1 ZINC000028965291 1079921929 /nfs/dbraw/zinc/92/19/29/1079921929.db2.gz AGZSLDIQCGRNJT-UHFFFAOYSA-N -1 1 405.255 0.487 20 0 HCADMM O=C1[N-]C(=S)NC(=O)/C1=C/NNS(=O)(=O)c1ccc(Br)cc1 ZINC000028965291 1079921917 /nfs/dbraw/zinc/92/19/17/1079921917.db2.gz AGZSLDIQCGRNJT-UHFFFAOYSA-N -1 1 405.255 0.487 20 0 HCADMM O=C1[N-]C(=S)NC(=O)/C1=C\NNS(=O)(=O)c1ccc(Br)cc1 ZINC000028965291 1079921903 /nfs/dbraw/zinc/92/19/03/1079921903.db2.gz AGZSLDIQCGRNJT-UHFFFAOYSA-N -1 1 405.255 0.487 20 0 HCADMM CS(=O)(=O)NCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000029022034 1079641173 /nfs/dbraw/zinc/64/11/73/1079641173.db2.gz APUZSUVRYFVUNG-UHFFFAOYSA-N -1 1 412.493 0.552 20 0 HCADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)o1 ZINC000029203516 1079930837 /nfs/dbraw/zinc/93/08/37/1079930837.db2.gz XQLBVGHFBZCDDG-NSHDSACASA-N -1 1 407.514 0.510 20 0 HCADMM COc1ccc(Cn2ncc3cc(C(=O)NN4CC(=O)[N-]C4=O)cnc32)c(OC)c1 ZINC000029238732 1079931880 /nfs/dbraw/zinc/93/18/80/1079931880.db2.gz IIZUXSQEMISNAY-UHFFFAOYSA-N -1 1 410.390 0.693 20 0 HCADMM NC(=O)[C@@H]1CC(C(=O)OCC(=O)N[N-]C(=O)c2cccs2)=NN1c1ccccc1 ZINC000029290853 1079933311 /nfs/dbraw/zinc/93/33/11/1079933311.db2.gz XFNOBXHGGDWYEE-ZDUSSCGKSA-N -1 1 415.431 0.173 20 0 HCADMM CSc1nc(C)c(CCC(=O)Nc2cccc(C(=O)NCC(N)=O)c2)c(=O)[n-]1 ZINC000029372250 1079650858 /nfs/dbraw/zinc/65/08/58/1079650858.db2.gz YQFRUBPBOJPLJO-UHFFFAOYSA-N -1 1 403.464 0.999 20 0 HCADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)o1 ZINC000029373747 1079650531 /nfs/dbraw/zinc/65/05/31/1079650531.db2.gz ALURHVALPIFTGQ-UHFFFAOYSA-N -1 1 422.463 0.824 20 0 HCADMM CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2n[n-]c(C(F)(F)F)n2)c1 ZINC000029388520 1079652843 /nfs/dbraw/zinc/65/28/43/1079652843.db2.gz KAHLJSQWEGTFLI-UHFFFAOYSA-N -1 1 422.389 0.654 20 0 HCADMM CS(=O)(=O)NCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000029683061 1079662008 /nfs/dbraw/zinc/66/20/08/1079662008.db2.gz LHSIMQZBTZUJHI-UHFFFAOYSA-N -1 1 415.468 0.906 20 0 HCADMM COc1ccc(NC(=O)Cc2c(C)nc3nc(N)nn3c2C)cc1[N-]S(C)(=O)=O ZINC000029817716 1079666730 /nfs/dbraw/zinc/66/67/30/1079666730.db2.gz SGCSSJHVEKLRFR-UHFFFAOYSA-N -1 1 419.467 0.885 20 0 HCADMM COc1ccc(NC(=O)Cn2nnc3ccccc3c2=O)cc1[N-]S(C)(=O)=O ZINC000029817817 1079666802 /nfs/dbraw/zinc/66/68/02/1079666802.db2.gz BHUMULUJPRXEAB-UHFFFAOYSA-N -1 1 403.420 0.810 20 0 HCADMM COc1ccc(NC(=O)Cn2c3ccccc3c(=O)[nH]c2=O)cc1[N-]S(C)(=O)=O ZINC000029817944 1079666839 /nfs/dbraw/zinc/66/68/39/1079666839.db2.gz YZRIJPIDNPDDKN-UHFFFAOYSA-N -1 1 418.431 0.709 20 0 HCADMM Cn1c(=O)c2cc(C(=O)N[N-]C(=O)c3cc(-c4ccccc4)[nH]n3)cnc2n(C)c1=O ZINC000029834373 1075345824 /nfs/dbraw/zinc/34/58/24/1075345824.db2.gz CFVREARATMVTPI-UHFFFAOYSA-N -1 1 419.401 0.097 20 0 HCADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCc1ccnc(-n2cccn2)c1 ZINC000029878896 1079669719 /nfs/dbraw/zinc/66/97/19/1079669719.db2.gz CQEKHMVKCBDVRL-UHFFFAOYSA-N -1 1 423.477 0.745 20 0 HCADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCc1ccc2c(c1)OCCO2 ZINC000029929848 1079670730 /nfs/dbraw/zinc/67/07/30/1079670730.db2.gz ZZPRXAJHHXRQKD-UHFFFAOYSA-N -1 1 414.462 0.935 20 0 HCADMM COc1cc(NC(=O)Cc2c(C)nc3nc(N)nn3c2C)ccc1[N-]S(C)(=O)=O ZINC000029969254 1079672085 /nfs/dbraw/zinc/67/20/85/1079672085.db2.gz MLCZEWUMLDLGKF-UHFFFAOYSA-N -1 1 419.467 0.885 20 0 HCADMM COc1cc(NC(=O)Cn2nnc3ccccc3c2=O)ccc1[N-]S(C)(=O)=O ZINC000029969563 1079672033 /nfs/dbraw/zinc/67/20/33/1079672033.db2.gz JLSPBPBJFFFTNT-UHFFFAOYSA-N -1 1 403.420 0.810 20 0 HCADMM COc1cc(NC(=O)c2cc(S(N)(=O)=O)cn2C)ccc1[N-]S(C)(=O)=O ZINC000029970140 1079671857 /nfs/dbraw/zinc/67/18/57/1079671857.db2.gz QXFBNGUVOKBYJM-UHFFFAOYSA-N -1 1 402.454 0.305 20 0 HCADMM COc1cc(NC(=O)Cn2cnc3c(cnn3C)c2=O)ccc1[N-]S(C)(=O)=O ZINC000029970429 1079672054 /nfs/dbraw/zinc/67/20/54/1079672054.db2.gz SUBXJUQVLUZJEN-UHFFFAOYSA-N -1 1 406.424 0.149 20 0 HCADMM COc1cc(NC(=O)C2CCN(S(C)(=O)=O)CC2)ccc1[N-]S(C)(=O)=O ZINC000029970633 1079672108 /nfs/dbraw/zinc/67/21/08/1079672108.db2.gz OZHFNPOGFPBECQ-UHFFFAOYSA-N -1 1 405.498 0.677 20 0 HCADMM COc1cc(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)ccc1[N-]S(C)(=O)=O ZINC000029971385 1079671905 /nfs/dbraw/zinc/67/19/05/1079671905.db2.gz PXXOCJAOPMUIIY-UHFFFAOYSA-N -1 1 418.431 0.709 20 0 HCADMM Cc1nn(-c2ccccc2)cc1CCC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000030362752 1079974955 /nfs/dbraw/zinc/97/49/55/1079974955.db2.gz PCLWMMICPUUMKT-UHFFFAOYSA-N -1 1 417.491 0.489 20 0 HCADMM CCN(CC)C(=O)c1ccc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 ZINC000030374069 1079679812 /nfs/dbraw/zinc/67/98/12/1079679812.db2.gz WMXJCLRQZZHARY-UHFFFAOYSA-N -1 1 408.480 0.045 20 0 HCADMM Cc1nn(-c2ccc(F)cc2)cc1C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000030430067 1079680507 /nfs/dbraw/zinc/68/05/07/1079680507.db2.gz UJWAZHPUUZYKTL-UHFFFAOYSA-N -1 1 407.427 0.196 20 0 HCADMM COc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)cc1[N-]S(C)(=O)=O ZINC000030602299 1079686737 /nfs/dbraw/zinc/68/67/37/1079686737.db2.gz RKBFNWDKNURCBN-UHFFFAOYSA-N -1 1 416.481 0.897 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(-n3ncc4c3nc[nH]c4=O)cc2)o1 ZINC000030639613 1079686507 /nfs/dbraw/zinc/68/65/07/1079686507.db2.gz STAZUBSDATYBLO-UHFFFAOYSA-N -1 1 414.403 0.862 20 0 HCADMM CCOc1cc2c(cc1C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)O[C@H](C)C2 ZINC000031074822 1079695817 /nfs/dbraw/zinc/69/58/17/1079695817.db2.gz OCRGWHAQRQYNTO-LLVKDONJSA-N -1 1 409.464 0.285 20 0 HCADMM CCOc1cc2c(cc1C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)O[C@@H](C)C2 ZINC000031074826 1079695572 /nfs/dbraw/zinc/69/55/72/1079695572.db2.gz OCRGWHAQRQYNTO-NSHDSACASA-N -1 1 409.464 0.285 20 0 HCADMM O=C(c1cc2ccccc2cc1[O-])N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000031248085 1079700548 /nfs/dbraw/zinc/70/05/48/1079700548.db2.gz NVKSSORLKYEIIA-UHFFFAOYSA-N -1 1 405.476 0.880 20 0 HCADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NC[C@@H](O)c1ccc(F)cc1 ZINC000031318527 1077345911 /nfs/dbraw/zinc/34/59/11/1077345911.db2.gz STIDKXZANMNYAZ-QGZVFWFLSA-N -1 1 404.442 0.836 20 0 HCADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NC[C@H](O)c1ccc(F)cc1 ZINC000031318531 1077345902 /nfs/dbraw/zinc/34/59/02/1077345902.db2.gz STIDKXZANMNYAZ-KRWDZBQOSA-N -1 1 404.442 0.836 20 0 HCADMM CCOc1ncccc1CNC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC000031325249 1079701994 /nfs/dbraw/zinc/70/19/94/1079701994.db2.gz XEEOPTQFNBSJPN-UHFFFAOYSA-N -1 1 401.467 0.958 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccccc2S(=O)(=O)N(C)C)o1 ZINC000031535613 1080005956 /nfs/dbraw/zinc/00/59/56/1080005956.db2.gz XMCNWWFDTIZTHQ-UHFFFAOYSA-N -1 1 401.466 0.368 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)o1 ZINC000031536632 1079704587 /nfs/dbraw/zinc/70/45/87/1079704587.db2.gz WAZDDGVFQRVDOA-UHFFFAOYSA-N -1 1 406.464 0.584 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)o1 ZINC000031536767 1079704391 /nfs/dbraw/zinc/70/43/91/1079704391.db2.gz QVXLRIHBMRLTFB-UHFFFAOYSA-N -1 1 420.491 0.262 20 0 HCADMM CN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1 ZINC000031555918 1079704604 /nfs/dbraw/zinc/70/46/04/1079704604.db2.gz QZHOOPAMWNJNFE-UHFFFAOYSA-N -1 1 424.460 0.268 20 0 HCADMM CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)ccc1C ZINC000031555994 1079704365 /nfs/dbraw/zinc/70/43/65/1079704365.db2.gz SEIPGONSRWHPON-UHFFFAOYSA-N -1 1 424.460 0.234 20 0 HCADMM NS(=O)(=O)c1cc(C(=O)N[N-]C(=O)c2cc(-c3ccccc3)[nH]n2)ccc1F ZINC000031591582 1080006268 /nfs/dbraw/zinc/00/62/68/1080006268.db2.gz NYIQDVXALNQPIM-UHFFFAOYSA-N -1 1 403.395 0.938 20 0 HCADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@@H]1CCCc2c1cnn2C ZINC000031593608 1079705293 /nfs/dbraw/zinc/70/52/93/1079705293.db2.gz WSZTUNNHRJGVEX-MRXNPFEDSA-N -1 1 400.483 0.775 20 0 HCADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@H]1CCCc2c1cnn2C ZINC000031593612 1079705194 /nfs/dbraw/zinc/70/51/94/1079705194.db2.gz WSZTUNNHRJGVEX-INIZCTEOSA-N -1 1 400.483 0.775 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)o1 ZINC000031596215 1079705032 /nfs/dbraw/zinc/70/50/32/1079705032.db2.gz RCNQNTNBWYQZQR-UHFFFAOYSA-N -1 1 407.448 0.590 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)o1 ZINC000031600075 1079705718 /nfs/dbraw/zinc/70/57/18/1079705718.db2.gz BJWGMPZPZHVTTO-UHFFFAOYSA-N -1 1 413.477 0.334 20 0 HCADMM CCS(=O)(=O)N1CCC(NC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CC1 ZINC000031605464 1079705828 /nfs/dbraw/zinc/70/58/28/1079705828.db2.gz XLWRHSYBNSYBTI-UHFFFAOYSA-N -1 1 421.541 0.900 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)o1 ZINC000031606881 1079705804 /nfs/dbraw/zinc/70/58/04/1079705804.db2.gz VCXCIPWRBVCUTJ-UHFFFAOYSA-N -1 1 421.431 0.515 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)o1 ZINC000031608420 1079706499 /nfs/dbraw/zinc/70/64/99/1079706499.db2.gz PKEUGTJIUFFHQZ-UHFFFAOYSA-N -1 1 422.463 0.711 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)c3cccc(OC)c3)CC2)o1 ZINC000031634431 1080006444 /nfs/dbraw/zinc/00/64/44/1080006444.db2.gz FTJBMKYRTHYRGJ-UHFFFAOYSA-N -1 1 407.448 0.795 20 0 HCADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)CCn2nnc3ccccc3c2=O)cc1 ZINC000031640578 1077385278 /nfs/dbraw/zinc/38/52/78/1077385278.db2.gz XRQIWLVBDQTFHN-UHFFFAOYSA-N -1 1 410.386 0.690 20 0 HCADMM O=C(COC(=O)CCn1nnc2ccccc2c1=O)N[N-]C(=O)c1cccs1 ZINC000031640613 1077385172 /nfs/dbraw/zinc/38/51/72/1077385172.db2.gz ZNULBEUWYIRWPG-UHFFFAOYSA-N -1 1 401.404 0.248 20 0 HCADMM CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)[N-]C(=O)c2ccc(OC)cc2)c1 ZINC000031645984 1077387751 /nfs/dbraw/zinc/38/77/51/1077387751.db2.gz DATIGRDLDBQYPN-UHFFFAOYSA-N -1 1 421.475 0.844 20 0 HCADMM CC(=O)N1CCc2cc([N-]S(=O)(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)ccc21 ZINC000031667252 1079707002 /nfs/dbraw/zinc/70/70/02/1079707002.db2.gz JTZGKDFXVVYKHE-UHFFFAOYSA-N -1 1 400.416 0.926 20 0 HCADMM C[C@@H]1Oc2ccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)cc2NC1=O ZINC000031667719 1079707169 /nfs/dbraw/zinc/70/71/69/1079707169.db2.gz VISYZVLBGDTOMA-QMMMGPOBSA-N -1 1 402.388 0.737 20 0 HCADMM C[C@H]1Oc2ccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)cc2NC1=O ZINC000031667720 1079707017 /nfs/dbraw/zinc/70/70/17/1079707017.db2.gz VISYZVLBGDTOMA-MRVPVSSYSA-N -1 1 402.388 0.737 20 0 HCADMM O=C(NC1CC1)c1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1 ZINC000031667730 1079706942 /nfs/dbraw/zinc/70/69/42/1079706942.db2.gz RFLMVGXCCSOLGS-UHFFFAOYSA-N -1 1 400.416 0.909 20 0 HCADMM O=C(NC1CC1)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1 ZINC000031667906 1079707090 /nfs/dbraw/zinc/70/70/90/1079707090.db2.gz IKUGJIWOERNEGC-UHFFFAOYSA-N -1 1 400.416 0.909 20 0 HCADMM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(N3CCCS3(=O)=O)cc2)cn1C ZINC000031667955 1079708009 /nfs/dbraw/zinc/70/80/09/1079708009.db2.gz LUYSGFURVFVRGB-UHFFFAOYSA-N -1 1 412.493 0.725 20 0 HCADMM Cc1ccc(S(C)(=O)=O)cc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000031668418 1079707810 /nfs/dbraw/zinc/70/78/10/1079707810.db2.gz KNOQJJDJIPTYPK-UHFFFAOYSA-N -1 1 409.445 0.729 20 0 HCADMM CS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1 ZINC000031668522 1079707935 /nfs/dbraw/zinc/70/79/35/1079707935.db2.gz IMFUVUPVLWWLOY-UHFFFAOYSA-N -1 1 410.433 0.389 20 0 HCADMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc(CN3C(=O)CNC3=O)c2)cc1 ZINC000031669803 1079707698 /nfs/dbraw/zinc/70/76/98/1079707698.db2.gz JDICFEMBZMULTR-UHFFFAOYSA-N -1 1 423.472 0.943 20 0 HCADMM NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(CN3C(=O)CNC3=O)c2)c1 ZINC000031669807 1079707784 /nfs/dbraw/zinc/70/77/84/1079707784.db2.gz GNNXNXHDBBQQCA-UHFFFAOYSA-N -1 1 424.460 0.187 20 0 HCADMM O=C1CNC(=O)N1Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c1 ZINC000031669811 1079707914 /nfs/dbraw/zinc/70/79/14/1079707914.db2.gz ZLDQKTNXZQOTPE-UHFFFAOYSA-N -1 1 416.415 0.870 20 0 HCADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(CN3C(=O)CNC3=O)c2)cc1 ZINC000031669818 1079708054 /nfs/dbraw/zinc/70/80/54/1079708054.db2.gz BPGPVBZKNJNUBJ-UHFFFAOYSA-N -1 1 402.432 0.899 20 0 HCADMM COc1ccc(C(=O)[N-]C(=O)Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)cc1 ZINC000031709266 1077406730 /nfs/dbraw/zinc/40/67/30/1077406730.db2.gz PBHBVDHZRRQQPY-UHFFFAOYSA-N -1 1 419.459 0.598 20 0 HCADMM NC(=O)c1cc([N+](=O)[O-])cn(CC(=O)[N-]C(=O)c2ccc(OC(F)F)cc2)c1=O ZINC000031811275 1077481235 /nfs/dbraw/zinc/48/12/35/1077481235.db2.gz GKZOFYKZHHFKBE-UHFFFAOYSA-N -1 1 410.289 0.413 20 0 HCADMM CNC(=O)CNC(=O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O ZINC000031907406 1077543528 /nfs/dbraw/zinc/54/35/28/1077543528.db2.gz CMPUHEVYMCNEHW-UHFFFAOYSA-N -1 1 408.392 0.577 20 0 HCADMM Cc1ccc(NC(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)cc1-n1cnnn1 ZINC000031994344 1079713806 /nfs/dbraw/zinc/71/38/06/1079713806.db2.gz WNUACTWDEVPIJG-UHFFFAOYSA-N -1 1 424.465 0.770 20 0 HCADMM COc1ccc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N(C)C)c2)cc1C(N)=O ZINC000032081471 1079715588 /nfs/dbraw/zinc/71/55/88/1079715588.db2.gz LKYWEBNPDDYDJL-UHFFFAOYSA-N -1 1 413.477 0.845 20 0 HCADMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N(C)C)cc2)cc1C(N)=O ZINC000032082456 1079715273 /nfs/dbraw/zinc/71/52/73/1079715273.db2.gz NVUGLZUPUDOYRI-UHFFFAOYSA-N -1 1 413.477 0.845 20 0 HCADMM COC(=O)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(N)=O)c2)cc1 ZINC000032083830 1079715417 /nfs/dbraw/zinc/71/54/17/1079715417.db2.gz ICGAIUAFXPJCBV-UHFFFAOYSA-N -1 1 421.431 0.498 20 0 HCADMM COC(=O)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)cc1 ZINC000032083832 1079715525 /nfs/dbraw/zinc/71/55/25/1079715525.db2.gz VYMIBQUINKLMEK-UHFFFAOYSA-N -1 1 405.432 0.798 20 0 HCADMM COc1ccc(S(=O)(=O)[N-]c2cccc(CN3C(=O)CNC3=O)c2)cc1C(N)=O ZINC000032086457 1079716263 /nfs/dbraw/zinc/71/62/63/1079716263.db2.gz QXTFRORMBLQTTP-UHFFFAOYSA-N -1 1 418.431 0.647 20 0 HCADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(CN3C(=O)CNC3=O)c2)cc1C(N)=O ZINC000032086459 1079716253 /nfs/dbraw/zinc/71/62/53/1079716253.db2.gz ZAKCBNUCPUDMTG-UHFFFAOYSA-N -1 1 402.432 0.947 20 0 HCADMM CCOC(=O)COc1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1 ZINC000032095582 1079716275 /nfs/dbraw/zinc/71/62/75/1079716275.db2.gz IWMSBEMXKIOYPT-UHFFFAOYSA-N -1 1 419.415 0.959 20 0 HCADMM NC(=O)Cc1ccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)cc1 ZINC000032096882 1079716190 /nfs/dbraw/zinc/71/61/90/1079716190.db2.gz ICBUGPXYOWAVMG-UHFFFAOYSA-N -1 1 409.489 0.956 20 0 HCADMM COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)[N-]NC(=O)[C@H]2CCCO2)c1 ZINC000032258278 1077816272 /nfs/dbraw/zinc/81/62/72/1077816272.db2.gz AWHPEIHPASLIOQ-CYBMUJFWSA-N -1 1 405.860 0.205 20 0 HCADMM Cn1cc(S(=O)(=O)[N-]Cc2cccnc2Oc2cccc(F)c2)c(=O)n(C)c1=O ZINC000032437828 1078006038 /nfs/dbraw/zinc/00/60/38/1078006038.db2.gz OYOIDVJMJXGFEV-UHFFFAOYSA-N -1 1 420.422 0.889 20 0 HCADMM CC(C)NC(=O)Nc1ccc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 ZINC000032442647 1079722409 /nfs/dbraw/zinc/72/24/09/1079722409.db2.gz KJYXNJMDQRBXPF-UHFFFAOYSA-N -1 1 409.468 0.092 20 0 HCADMM CCOCCOCc1cccc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC000032471386 1079723281 /nfs/dbraw/zinc/72/32/81/1079723281.db2.gz JDAGSTZZKRMHIW-UHFFFAOYSA-N -1 1 411.480 0.116 20 0 HCADMM Cc1nnnn1-c1cccc(NC(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)c1 ZINC000032580778 1079724941 /nfs/dbraw/zinc/72/49/41/1079724941.db2.gz UJTDYNSODIUUFE-UHFFFAOYSA-N -1 1 424.465 0.770 20 0 HCADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCC(=O)NCc1ccccc1 ZINC000032583744 1077974803 /nfs/dbraw/zinc/97/48/03/1077974803.db2.gz LDEARNRRHURELR-UHFFFAOYSA-N -1 1 413.478 0.280 20 0 HCADMM COc1ccc(S(=O)(=O)N[N-]C(=O)c2csc(N3CCOCC3)n2)cc1C ZINC000032588004 1077973216 /nfs/dbraw/zinc/97/32/16/1077973216.db2.gz MQBPHJXQUAZHBT-UHFFFAOYSA-N -1 1 412.493 0.920 20 0 HCADMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(-n3cnnn3)cc2)cc1)N1CCOCC1 ZINC000032588061 1079725064 /nfs/dbraw/zinc/72/50/64/1079725064.db2.gz ZXNNEJCGDQISEH-UHFFFAOYSA-N -1 1 414.447 0.936 20 0 HCADMM NC(=O)COc1cccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)c1 ZINC000032590288 1079724507 /nfs/dbraw/zinc/72/45/07/1079724507.db2.gz NOMFTUGEIGNJRK-UHFFFAOYSA-N -1 1 419.459 0.824 20 0 HCADMM NC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)cc1 ZINC000032591023 1079724687 /nfs/dbraw/zinc/72/46/87/1079724687.db2.gz ZEAAIVCGJBQNLU-UHFFFAOYSA-N -1 1 419.459 0.824 20 0 HCADMM NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)cc1 ZINC000032594999 1079725541 /nfs/dbraw/zinc/72/55/41/1079725541.db2.gz YKDUDBOSPKOAHG-UHFFFAOYSA-N -1 1 403.460 0.988 20 0 HCADMM CS(=O)(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000032595855 1079725913 /nfs/dbraw/zinc/72/59/13/1079725913.db2.gz VAMYFHZWLYTBCO-UHFFFAOYSA-N -1 1 410.433 0.389 20 0 HCADMM Cn1c2ccc(S(=O)(=O)[N-]c3cccc(N4C(=O)CNC4=O)c3)cc2oc1=O ZINC000032599021 1077980611 /nfs/dbraw/zinc/98/06/11/1077980611.db2.gz OXZRASVEDJLLDR-UHFFFAOYSA-N -1 1 402.388 0.989 20 0 HCADMM NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(N3C(=O)CNC3=O)c2)c1 ZINC000032599027 1077981206 /nfs/dbraw/zinc/98/12/06/1077981206.db2.gz YLDFXBKZBFCBEF-UHFFFAOYSA-N -1 1 410.433 0.191 20 0 HCADMM O=C1CNC(=O)N1c1cccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c1 ZINC000032599031 1077981359 /nfs/dbraw/zinc/98/13/59/1077981359.db2.gz YQQBFFJQTXDEKT-UHFFFAOYSA-N -1 1 402.388 0.875 20 0 HCADMM COc1ccc(S(=O)(=O)[N-]c2cccc(N3C(=O)CNC3=O)c2)cc1C(N)=O ZINC000032599069 1077981459 /nfs/dbraw/zinc/98/14/59/1077981459.db2.gz SLYPLKPJTSRGHY-UHFFFAOYSA-N -1 1 404.404 0.651 20 0 HCADMM CCNC(=O)COc1cccc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)c1 ZINC000032629246 1079725501 /nfs/dbraw/zinc/72/55/01/1079725501.db2.gz IDNQBHOKOIWDHS-UHFFFAOYSA-N -1 1 413.477 0.650 20 0 HCADMM CCNC(=O)COc1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1 ZINC000032629259 1079725839 /nfs/dbraw/zinc/72/58/39/1079725839.db2.gz NGYZJSSFYRGTPQ-UHFFFAOYSA-N -1 1 418.431 0.532 20 0 HCADMM O=C1CN(S(=O)(=O)c2cccc([N-]S(=O)(=O)c3cccc(F)c3)c2)CCN1 ZINC000032631734 1079725765 /nfs/dbraw/zinc/72/57/65/1079725765.db2.gz WXDXIGLMLBFLGA-UHFFFAOYSA-N -1 1 413.452 0.747 20 0 HCADMM O=C([N-]NC(=O)c1ccccc1F)c1ccccc1S(=O)(=O)N1CCOCC1 ZINC000032661250 1078055333 /nfs/dbraw/zinc/05/53/33/1078055333.db2.gz MMFGREHSIDJGLK-UHFFFAOYSA-N -1 1 407.423 0.921 20 0 HCADMM Cc1cc(C(=O)N[N-]C(=O)c2ccccc2S(=O)(=O)N2CCOCC2)c(C)o1 ZINC000032662117 1078055524 /nfs/dbraw/zinc/05/55/24/1078055524.db2.gz VFLYGFOSFCRBQK-UHFFFAOYSA-N -1 1 407.448 0.992 20 0 HCADMM Cc1nc(-c2ccccc2)sc1C(=O)[N-]NC(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000032681843 1078057398 /nfs/dbraw/zinc/05/73/98/1078057398.db2.gz FWJLIAPFAAQUJJ-UHFFFAOYSA-N -1 1 423.520 0.795 20 0 HCADMM CC(C)S(=O)(=O)c1ccccc1C(=O)[N-]NC(=O)c1ccc(-n2cnnn2)cc1 ZINC000032684019 1078061203 /nfs/dbraw/zinc/06/12/03/1078061203.db2.gz XBOPTIYYIJJALG-UHFFFAOYSA-N -1 1 414.447 0.919 20 0 HCADMM CCCS(=O)(=O)c1ccccc1C(=O)[N-]NC(=O)c1ccc(-n2cnnn2)cc1 ZINC000032684023 1078061013 /nfs/dbraw/zinc/06/10/13/1078061013.db2.gz HWWMGJYSRMGMKR-UHFFFAOYSA-N -1 1 414.447 0.921 20 0 HCADMM O=C(CCNC(=O)c1cc(Br)ccc1[O-])N[C@@H]1CCS(=O)(=O)C1 ZINC000032693329 1079726961 /nfs/dbraw/zinc/72/69/61/1079726961.db2.gz KYCORXKXEFICLA-SNVBAGLBSA-N -1 1 405.270 0.578 20 0 HCADMM O=C(CCNC(=O)c1cc(Br)ccc1[O-])N[C@H]1CCS(=O)(=O)C1 ZINC000032693330 1079726926 /nfs/dbraw/zinc/72/69/26/1079726926.db2.gz KYCORXKXEFICLA-JTQLQIEISA-N -1 1 405.270 0.578 20 0 HCADMM NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(Cl)ccc3[O-])CC2)o1 ZINC000032696737 1079727249 /nfs/dbraw/zinc/72/72/49/1079727249.db2.gz YLWOZBCSTZZZNY-UHFFFAOYSA-N -1 1 413.839 0.884 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)o1 ZINC000032702764 1079727768 /nfs/dbraw/zinc/72/77/68/1079727768.db2.gz VLROGGDMPOEEOW-UHFFFAOYSA-N -1 1 424.454 0.723 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)o1 ZINC000032709110 1079729430 /nfs/dbraw/zinc/72/94/30/1079729430.db2.gz XLDAQRGAVYBDIG-UHFFFAOYSA-N -1 1 407.448 0.841 20 0 HCADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)o1 ZINC000032713403 1079729356 /nfs/dbraw/zinc/72/93/56/1079729356.db2.gz RROZAAICUXICDJ-UHFFFAOYSA-N -1 1 412.512 0.393 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)o1 ZINC000032720519 1079730322 /nfs/dbraw/zinc/73/03/22/1079730322.db2.gz OGOBUTOCYIXJJH-UHFFFAOYSA-N -1 1 421.475 0.917 20 0 HCADMM O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000032736932 1078067274 /nfs/dbraw/zinc/06/72/74/1078067274.db2.gz OIAGLRSYIHDBBN-UHFFFAOYSA-N -1 1 407.364 0.851 20 0 HCADMM CCS(=O)(=O)N(C)CCCNC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000032740146 1079731030 /nfs/dbraw/zinc/73/10/30/1079731030.db2.gz GKEAPPRGCPZWJF-UHFFFAOYSA-N -1 1 409.530 0.758 20 0 HCADMM CCOC(=O)N1CCC(NC(=O)CCCNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)CC1 ZINC000032746252 1078070454 /nfs/dbraw/zinc/07/04/54/1078070454.db2.gz FJKCIQQQKBKYIW-UHFFFAOYSA-N -1 1 423.426 0.530 20 0 HCADMM COCCNS(=O)(=O)c1ccc(Br)c(C(=O)[N-]NC(=O)C(C)C)c1 ZINC000032750302 1078069680 /nfs/dbraw/zinc/06/96/80/1078069680.db2.gz CCOBABKWYYRBCK-UHFFFAOYSA-N -1 1 422.301 0.791 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)o1 ZINC000032805748 1079732216 /nfs/dbraw/zinc/73/22/16/1079732216.db2.gz YILFLGPNNMTYAO-JTQLQIEISA-N -1 1 401.466 0.668 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)o1 ZINC000032805749 1079732347 /nfs/dbraw/zinc/73/23/47/1079732347.db2.gz YILFLGPNNMTYAO-SNVBAGLBSA-N -1 1 401.466 0.668 20 0 HCADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)NC2CCN(S(C)(=O)=O)CC2)o1 ZINC000032963575 1079734539 /nfs/dbraw/zinc/73/45/39/1079734539.db2.gz CLRHYQVRQMVISY-UHFFFAOYSA-N -1 1 407.514 0.510 20 0 HCADMM CCOC(=O)C(NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)C(=O)OCC ZINC000033000203 1079734956 /nfs/dbraw/zinc/73/49/56/1079734956.db2.gz MCZCEQBDHPGRKU-UHFFFAOYSA-N -1 1 404.441 0.581 20 0 HCADMM COc1ccc(NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)cc1[N-]S(C)(=O)=O ZINC000033001389 1079734885 /nfs/dbraw/zinc/73/48/85/1079734885.db2.gz QTBUBTPJYQXNAL-UHFFFAOYSA-N -1 1 418.431 0.709 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)o1 ZINC000033013306 1079735498 /nfs/dbraw/zinc/73/54/98/1079735498.db2.gz QOEVFELTEVLVDY-AWEZNQCLSA-N -1 1 412.512 0.347 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)o1 ZINC000033013308 1079735598 /nfs/dbraw/zinc/73/55/98/1079735598.db2.gz QOEVFELTEVLVDY-CQSZACIVSA-N -1 1 412.512 0.347 20 0 HCADMM CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)[N-]C)o3)CC2)nc1 ZINC000033020756 1079735677 /nfs/dbraw/zinc/73/56/77/1079735677.db2.gz UVQSXUGSYJGZCW-UHFFFAOYSA-N -1 1 422.463 0.722 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2cccc(S(=O)(=O)NC(C)C)c2)o1 ZINC000033021053 1079735695 /nfs/dbraw/zinc/73/56/95/1079735695.db2.gz GWVXPNWTCIOSAM-UHFFFAOYSA-N -1 1 415.493 0.804 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)o1 ZINC000033046099 1079736411 /nfs/dbraw/zinc/73/64/11/1079736411.db2.gz JFGKVFSYHSVVGM-UHFFFAOYSA-N -1 1 421.884 0.549 20 0 HCADMM COc1cc(NC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)ccc1[N-]S(C)(=O)=O ZINC000033067535 1079736242 /nfs/dbraw/zinc/73/62/42/1079736242.db2.gz GYULQFFPAHOJCN-BETUJISGSA-N -1 1 407.448 0.956 20 0 HCADMM COc1cc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)ccc1[N-]S(C)(=O)=O ZINC000033067628 1079736330 /nfs/dbraw/zinc/73/63/30/1079736330.db2.gz XKZYRLNYBSLGJH-UHFFFAOYSA-N -1 1 410.452 0.870 20 0 HCADMM COc1cc(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)ccc1[N-]S(C)(=O)=O ZINC000033070002 1079736266 /nfs/dbraw/zinc/73/62/66/1079736266.db2.gz ASLHFYBHQOTLEN-QGZVFWFLSA-N -1 1 410.452 0.726 20 0 HCADMM COc1cc(NC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)ccc1[N-]S(C)(=O)=O ZINC000033070241 1079736204 /nfs/dbraw/zinc/73/62/04/1079736204.db2.gz FYLLJTOMGYCYIT-UHFFFAOYSA-N -1 1 404.404 0.849 20 0 HCADMM NC(=O)NCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000041591104 1079750484 /nfs/dbraw/zinc/75/04/84/1079750484.db2.gz AYUVMBDXGIIRDC-UHFFFAOYSA-N -1 1 406.420 0.865 20 0 HCADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCC(N)=O)c2)cc1 ZINC000041616050 1080019759 /nfs/dbraw/zinc/01/97/59/1080019759.db2.gz AHXZUWUKDRLXMY-UHFFFAOYSA-N -1 1 405.432 0.879 20 0 HCADMM NC(=O)CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c1 ZINC000041616076 1079751121 /nfs/dbraw/zinc/75/11/21/1079751121.db2.gz IJHCBCVTDMOCHA-UHFFFAOYSA-N -1 1 404.404 0.033 20 0 HCADMM C[C@@]1(c2ccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)NC(=O)NC1=O ZINC000042006271 1079761047 /nfs/dbraw/zinc/76/10/47/1079761047.db2.gz WHWMELDBMZPWMM-KRWDZBQOSA-N -1 1 401.404 0.712 20 0 HCADMM C[C@]1(c2ccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)cc2)NC(=O)NC1=O ZINC000042006273 1079760975 /nfs/dbraw/zinc/76/09/75/1079760975.db2.gz WHWMELDBMZPWMM-QGZVFWFLSA-N -1 1 401.404 0.712 20 0 HCADMM CN1CCN(S(=O)(=O)N2CCN(C(=O)c3cc(Cl)ccc3[O-])CC2)CC1 ZINC000043774460 1079790055 /nfs/dbraw/zinc/79/00/55/1079790055.db2.gz GRIOJYXFVSDCIL-UHFFFAOYSA-N -1 1 402.904 0.296 20 0 HCADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)NC(C(N)=O)C(N)=O ZINC000044389065 1079794995 /nfs/dbraw/zinc/79/49/95/1079794995.db2.gz BQOWNJQFOXTIHT-UHFFFAOYSA-N -1 1 408.411 0.004 20 0 HCADMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(N)=O)c2)cc1[C@]1(C)NC(=O)NC1=O ZINC000045774830 1079808170 /nfs/dbraw/zinc/80/81/70/1079808170.db2.gz FEZXZNLJPOZPAV-SFHVURJKSA-N -1 1 418.431 0.650 20 0 HCADMM COc1ccc(S(=O)(=O)[N-]c2cccc(C(N)=O)c2)cc1[C@@]1(C)NC(=O)NC1=O ZINC000045774831 1079808240 /nfs/dbraw/zinc/80/82/40/1079808240.db2.gz FEZXZNLJPOZPAV-GOSISDBHSA-N -1 1 418.431 0.650 20 0 HCADMM CSc1nc(C)c(CCC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c(=O)[n-]1 ZINC000046045047 1079814915 /nfs/dbraw/zinc/81/49/15/1079814915.db2.gz UUSMNLZWUXKJBO-UHFFFAOYSA-N -1 1 407.496 0.095 20 0 HCADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCCNC(=O)c1cccs1 ZINC000046201350 1079816274 /nfs/dbraw/zinc/81/62/74/1079816274.db2.gz YMEUTEQQYICLGB-UHFFFAOYSA-N -1 1 419.507 0.455 20 0 HCADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCCC(=O)N1CCCCC1 ZINC000046460638 1079822310 /nfs/dbraw/zinc/82/23/10/1079822310.db2.gz ISHDCHUXQITJCA-UHFFFAOYSA-N -1 1 405.499 0.366 20 0 HCADMM O=C(Cn1ccc(=O)[nH]c1=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000046588462 1079825291 /nfs/dbraw/zinc/82/52/91/1079825291.db2.gz NNJAFIQBBXILOL-UHFFFAOYSA-N -1 1 400.416 0.976 20 0 HCADMM Cn1c(=O)ccn(CC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)c1=O ZINC000046588617 1079825214 /nfs/dbraw/zinc/82/52/14/1079825214.db2.gz GLSMHYUNTWNLLX-UHFFFAOYSA-N -1 1 414.443 0.987 20 0 HCADMM O=C(Cn1ccc(=O)[nH]c1=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000046611727 1079826249 /nfs/dbraw/zinc/82/62/49/1079826249.db2.gz IXSAMHOUWPDGIP-UHFFFAOYSA-N -1 1 400.416 0.976 20 0 HCADMM Cn1c(=O)ccn(CC(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)c1=O ZINC000046611944 1079826335 /nfs/dbraw/zinc/82/63/35/1079826335.db2.gz AGGDLQBWQYCVMB-UHFFFAOYSA-N -1 1 414.443 0.987 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccc(C(N)=O)cc3)CC2)o1 ZINC000046725704 1079828398 /nfs/dbraw/zinc/82/83/98/1079828398.db2.gz VZBGNZLUZDQXCX-UHFFFAOYSA-N -1 1 406.464 0.245 20 0 HCADMM CN(CC(N)=O)C(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000047109721 1079839857 /nfs/dbraw/zinc/83/98/57/1079839857.db2.gz FIFVMARHFVPZQV-UHFFFAOYSA-N -1 1 403.420 0.214 20 0 HCADMM NS(=O)(=O)CCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000047523833 1079845794 /nfs/dbraw/zinc/84/57/94/1079845794.db2.gz VYOAVBPGYBBASH-UHFFFAOYSA-N -1 1 401.441 0.645 20 0 HCADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCS(N)(=O)=O)c2)cc1F ZINC000047554522 1079846497 /nfs/dbraw/zinc/84/64/97/1079846497.db2.gz BVEMQUNSWRBBNJ-UHFFFAOYSA-N -1 1 415.468 0.953 20 0 HCADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)NCCS(N)(=O)=O ZINC000047554813 1079846478 /nfs/dbraw/zinc/84/64/78/1079846478.db2.gz QBIQXIWIHUXDQX-UHFFFAOYSA-N -1 1 415.468 0.953 20 0 HCADMM CCCc1cc(=O)[n-]c(SCC(=O)NCCCN(C(C)C)S(C)(=O)=O)n1 ZINC000053359190 1077564171 /nfs/dbraw/zinc/56/41/71/1077564171.db2.gz LRALZZNRTZTMTD-UHFFFAOYSA-N -1 1 404.558 0.991 20 0 HCADMM C[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)C(N)=O ZINC000053394306 1077649513 /nfs/dbraw/zinc/64/95/13/1077649513.db2.gz LYCIGPYPLNKZCA-NSHDSACASA-N -1 1 405.432 0.862 20 0 HCADMM C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1)C(N)=O ZINC000053394307 1077649430 /nfs/dbraw/zinc/64/94/30/1077649430.db2.gz LYCIGPYPLNKZCA-LLVKDONJSA-N -1 1 405.432 0.862 20 0 HCADMM C[C@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1)C(N)=O ZINC000053395213 1077650410 /nfs/dbraw/zinc/65/04/10/1077650410.db2.gz PNWSBJPFLHCBSJ-NSHDSACASA-N -1 1 405.432 0.862 20 0 HCADMM C[C@@H](NC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1)C(N)=O ZINC000053395215 1077650447 /nfs/dbraw/zinc/65/04/47/1077650447.db2.gz PNWSBJPFLHCBSJ-LLVKDONJSA-N -1 1 405.432 0.862 20 0 HCADMM COc1ccccc1C1(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CCCC1 ZINC000053685997 1077875347 /nfs/dbraw/zinc/87/53/47/1077875347.db2.gz ZDYLPRJHBZGGSM-UHFFFAOYSA-N -1 1 407.492 0.883 20 0 HCADMM Cn1cc(S(=O)(=O)[N-]Cc2ccc(F)cc2Br)c(=O)n(C)c1=O ZINC000053689951 1077878545 /nfs/dbraw/zinc/87/85/45/1077878545.db2.gz IMZCDSPWSLDPJX-UHFFFAOYSA-N -1 1 406.233 0.464 20 0 HCADMM NC(=O)c1csc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])c1 ZINC000053790935 1077898294 /nfs/dbraw/zinc/89/82/94/1077898294.db2.gz KDQQOLVVMREFDG-UHFFFAOYSA-N -1 1 411.461 0.826 20 0 HCADMM CC(C)(C)CC(=O)NCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000053790936 1077898323 /nfs/dbraw/zinc/89/83/23/1077898323.db2.gz DXEQEISJKBZPEI-UHFFFAOYSA-N -1 1 413.496 0.904 20 0 HCADMM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000054294737 1078014132 /nfs/dbraw/zinc/01/41/32/1078014132.db2.gz JDMYJRGOUPKFAK-UHFFFAOYSA-N -1 1 400.434 0.771 20 0 HCADMM CCS(=O)(=O)N(C)CCCNC(=O)Cc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000054367247 1078015006 /nfs/dbraw/zinc/01/50/06/1078015006.db2.gz DHSWWXCIADDPQW-UHFFFAOYSA-N -1 1 407.496 0.471 20 0 HCADMM COc1cc(NC(=O)CN(C)C(=O)[C@H](C)n2cccn2)ccc1[N-]S(C)(=O)=O ZINC000054656591 1078017147 /nfs/dbraw/zinc/01/71/47/1078017147.db2.gz JOECDAMTIFQQFX-LBPRGKRZSA-N -1 1 409.468 0.921 20 0 HCADMM COc1cc(NC(=O)CN(C)C(=O)[C@@H](C)n2cccn2)ccc1[N-]S(C)(=O)=O ZINC000054656594 1078017229 /nfs/dbraw/zinc/01/72/29/1078017229.db2.gz JOECDAMTIFQQFX-GFCCVEGCSA-N -1 1 409.468 0.921 20 0 HCADMM CCCS(=O)(=O)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000055158100 1078023576 /nfs/dbraw/zinc/02/35/76/1078023576.db2.gz SPJQWKBCCWGWFX-UHFFFAOYSA-N -1 1 406.482 0.176 20 0 HCADMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)NC(C(N)=O)C(N)=O)c2)c1 ZINC000055274880 1078025106 /nfs/dbraw/zinc/02/51/06/1078025106.db2.gz KIEDGYAREPDTHA-UHFFFAOYSA-N -1 1 404.448 0.173 20 0 HCADMM CC(C)S(=O)(=O)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000055468226 1080206287 /nfs/dbraw/zinc/20/62/87/1080206287.db2.gz NCLMQFBPFGWWTJ-UHFFFAOYSA-N -1 1 406.482 0.175 20 0 HCADMM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1cccc(S(N)(=O)=O)c1 ZINC000055548417 1078611634 /nfs/dbraw/zinc/61/16/34/1078611634.db2.gz YFXPSPLIUIIVSK-UHFFFAOYSA-N -1 1 404.491 0.847 20 0 HCADMM COC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2)cc1 ZINC000055548437 1078607560 /nfs/dbraw/zinc/60/75/60/1078607560.db2.gz JQUKPHJCEIDUNH-UHFFFAOYSA-N -1 1 400.434 0.687 20 0 HCADMM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c([C@]3(C)NC(=O)NC3=O)c2)cn1 ZINC000055556339 1080209567 /nfs/dbraw/zinc/20/95/67/1080209567.db2.gz VUHFHSANIRWSOE-KRWDZBQOSA-N -1 1 406.420 0.954 20 0 HCADMM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c([C@@]3(C)NC(=O)NC3=O)c2)cn1 ZINC000055556342 1080209359 /nfs/dbraw/zinc/20/93/59/1080209359.db2.gz VUHFHSANIRWSOE-QGZVFWFLSA-N -1 1 406.420 0.954 20 0 HCADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C)c2)cc1S(N)(=O)=O ZINC000055565182 1078886590 /nfs/dbraw/zinc/88/65/90/1078886590.db2.gz HJUUZEZDPSIJNQ-UHFFFAOYSA-N -1 1 413.477 0.845 20 0 HCADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)c(S(N)(=O)=O)c2)ccc1O ZINC000055565195 1080209916 /nfs/dbraw/zinc/20/99/16/1080209916.db2.gz NAKXZBCGTRZJHO-UHFFFAOYSA-N -1 1 416.433 0.636 20 0 HCADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(CS(N)(=O)=O)cc2)ccc1O ZINC000055580434 1078029277 /nfs/dbraw/zinc/02/92/77/1078029277.db2.gz OODRKUPPQXBZGL-UHFFFAOYSA-N -1 1 400.434 0.768 20 0 HCADMM CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)OC)c2)c1 ZINC000055586817 1078029320 /nfs/dbraw/zinc/02/93/20/1078029320.db2.gz CUNRJUMOXJKEPZ-UHFFFAOYSA-N -1 1 400.434 0.888 20 0 HCADMM CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)OC)cc2)c1 ZINC000055586848 1078029229 /nfs/dbraw/zinc/02/92/29/1078029229.db2.gz XCGVBASUMXVPSE-UHFFFAOYSA-N -1 1 414.461 0.947 20 0 HCADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C(=O)NCC(N)=O)c2)ccc1O ZINC000055589033 1078029503 /nfs/dbraw/zinc/02/95/03/1078029503.db2.gz BTRPJSMRXHJPMM-UHFFFAOYSA-N -1 1 407.404 0.195 20 0 HCADMM NC(=O)CNC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c1 ZINC000055589059 1080210417 /nfs/dbraw/zinc/21/04/17/1080210417.db2.gz QRVWYXHQJNJJTM-UHFFFAOYSA-N -1 1 416.459 0.977 20 0 HCADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000055589085 1078029559 /nfs/dbraw/zinc/02/95/59/1078029559.db2.gz ZAQASQZSDHLSKG-UHFFFAOYSA-N -1 1 407.404 0.409 20 0 HCADMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cccc(C(=O)NCC(N)=O)c3)ccc21 ZINC000055589086 1080210500 /nfs/dbraw/zinc/21/05/00/1080210500.db2.gz DPMHEAALYMXULG-UHFFFAOYSA-N -1 1 416.459 0.612 20 0 HCADMM Cc1ccc(S(=O)(=O)[N-]c2cccc([C@@]3(C)NC(=O)NC3=O)c2)cc1C(N)=O ZINC000055594178 1078029413 /nfs/dbraw/zinc/02/94/13/1078029413.db2.gz JJSWPDSZRAPVPD-GOSISDBHSA-N -1 1 402.432 0.949 20 0 HCADMM Cc1ccc(S(=O)(=O)[N-]c2cccc([C@]3(C)NC(=O)NC3=O)c2)cc1C(N)=O ZINC000055594179 1078029515 /nfs/dbraw/zinc/02/95/15/1078029515.db2.gz JJSWPDSZRAPVPD-SFHVURJKSA-N -1 1 402.432 0.949 20 0 HCADMM CN1C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(OCCC(N)=O)cc3)cc2C1=O ZINC000055594342 1080210952 /nfs/dbraw/zinc/21/09/52/1080210952.db2.gz LMHRDOSJGXCBFG-UHFFFAOYSA-N -1 1 403.416 0.967 20 0 HCADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OCCC(N)=O)cc2)cc1 ZINC000055594349 1080210837 /nfs/dbraw/zinc/21/08/37/1080210837.db2.gz AKQIIPYBXWTFLB-UHFFFAOYSA-N -1 1 413.477 0.650 20 0 HCADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)OC)cc2)cc1 ZINC000055594598 1080210971 /nfs/dbraw/zinc/21/09/71/1080210971.db2.gz NDJAIDSWXBANAF-UHFFFAOYSA-N -1 1 414.461 0.947 20 0 HCADMM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1cccc(NS(N)(=O)=O)c1 ZINC000055595725 1080211303 /nfs/dbraw/zinc/21/13/03/1080211303.db2.gz IUCXBXKASANVKO-UHFFFAOYSA-N -1 1 419.506 0.815 20 0 HCADMM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cccc(NS(N)(=O)=O)c2)cc1 ZINC000055595726 1080211340 /nfs/dbraw/zinc/21/13/40/1080211340.db2.gz KYFYMSJADVFYTJ-UHFFFAOYSA-N -1 1 412.493 0.781 20 0 HCADMM CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc(NS(N)(=O)=O)c2)cc1 ZINC000055595742 1080211370 /nfs/dbraw/zinc/21/13/70/1080211370.db2.gz DJNUANYJGIAUDO-UHFFFAOYSA-N -1 1 419.506 0.896 20 0 HCADMM CN1C(=O)c2ccc(S(=O)(=O)[N-]c3cccc(NS(N)(=O)=O)c3)cc2C1=O ZINC000055595782 1080211440 /nfs/dbraw/zinc/21/14/40/1080211440.db2.gz JRSJNFGHOMLARD-UHFFFAOYSA-N -1 1 410.433 0.329 20 0 HCADMM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(NS(N)(=O)=O)c2)c1 ZINC000055595783 1080211270 /nfs/dbraw/zinc/21/12/70/1080211270.db2.gz VIEPIVMSNRPCFP-UHFFFAOYSA-N -1 1 405.479 0.506 20 0 HCADMM COC(=O)CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)cc2)c1 ZINC000055596107 1078029735 /nfs/dbraw/zinc/02/97/35/1078029735.db2.gz URNZEQXGLTVMNV-UHFFFAOYSA-N -1 1 414.461 0.947 20 0 HCADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(S(N)(=O)=O)ccc2C)ccc1O ZINC000055596473 1078029650 /nfs/dbraw/zinc/02/96/50/1078029650.db2.gz UIVKNDBRTRDNAO-UHFFFAOYSA-N -1 1 400.434 0.935 20 0 HCADMM COC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(S(N)(=O)=O)ccc2C)cc1 ZINC000055596539 1078029829 /nfs/dbraw/zinc/02/98/29/1078029829.db2.gz UTKBFLVRHJINNK-UHFFFAOYSA-N -1 1 414.461 0.995 20 0 HCADMM Cc1ccc(S(N)(=O)=O)cc1[N-]S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000055596543 1080211423 /nfs/dbraw/zinc/21/14/23/1080211423.db2.gz RSZNRINSZBVOQD-UHFFFAOYSA-N -1 1 405.479 0.091 20 0 HCADMM Cc1ccc(S(N)(=O)=O)cc1[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000055596553 1080211513 /nfs/dbraw/zinc/21/15/13/1080211513.db2.gz CYKPJCDQYDQAQT-UHFFFAOYSA-N -1 1 404.491 0.847 20 0 HCADMM COC(=O)CNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)cc1 ZINC000055598959 1078029759 /nfs/dbraw/zinc/02/97/59/1078029759.db2.gz SAXBFOQEDWDGSJ-UHFFFAOYSA-N -1 1 419.459 0.726 20 0 HCADMM COC(=O)CNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1 ZINC000055599043 1080211872 /nfs/dbraw/zinc/21/18/72/1080211872.db2.gz PXYDEIJKTIXXKF-UHFFFAOYSA-N -1 1 419.415 0.754 20 0 HCADMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)NCC(=O)OC)cc2)cc1 ZINC000055599044 1080212000 /nfs/dbraw/zinc/21/20/00/1080212000.db2.gz DXFHXSFCJPDDQV-UHFFFAOYSA-N -1 1 419.459 0.679 20 0 HCADMM COC(=O)CNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(C(N)=O)cc2)cc1 ZINC000055599045 1080211791 /nfs/dbraw/zinc/21/17/91/1080211791.db2.gz ZFXXUHOILGMOOX-UHFFFAOYSA-N -1 1 405.432 0.418 20 0 HCADMM COc1ccc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1OCC(N)=O ZINC000055606227 1080212062 /nfs/dbraw/zinc/21/20/62/1080212062.db2.gz FRACKSPBNWQINQ-UHFFFAOYSA-N -1 1 415.449 0.008 20 0 HCADMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1OCC(N)=O ZINC000055606233 1080212264 /nfs/dbraw/zinc/21/22/64/1080212264.db2.gz UPXKXMHTPRPWIW-UHFFFAOYSA-N -1 1 419.415 0.586 20 0 HCADMM COc1ccc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1OCC(N)=O ZINC000055606234 1080212331 /nfs/dbraw/zinc/21/23/31/1080212331.db2.gz JDMBCXPYHIYVPJ-UHFFFAOYSA-N -1 1 414.461 0.764 20 0 HCADMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1OCC(N)=O ZINC000055606237 1080212399 /nfs/dbraw/zinc/21/23/99/1080212399.db2.gz YSVOHANXFVEJBV-UHFFFAOYSA-N -1 1 407.404 0.805 20 0 HCADMM COc1ccc([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)cc1OCC(N)=O ZINC000055606264 1078030847 /nfs/dbraw/zinc/03/08/47/1078030847.db2.gz LOEBIGOZTZPMNH-UHFFFAOYSA-N -1 1 414.461 0.764 20 0 HCADMM COc1ccc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1OCC(N)=O ZINC000055606338 1080212448 /nfs/dbraw/zinc/21/24/48/1080212448.db2.gz HYZBWTNHSCBIAV-UHFFFAOYSA-N -1 1 415.449 0.008 20 0 HCADMM CN(C)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1 ZINC000055618343 1078031053 /nfs/dbraw/zinc/03/10/53/1078031053.db2.gz SDRZMEISWLKBMR-UHFFFAOYSA-N -1 1 402.432 0.648 20 0 HCADMM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1ccc(C(=O)NCCO)cc1 ZINC000055621908 1080212436 /nfs/dbraw/zinc/21/24/36/1080212436.db2.gz TWPIEKPCINTXAN-UHFFFAOYSA-N -1 1 412.489 0.921 20 0 HCADMM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCO)cc2)cc1 ZINC000055621910 1080212288 /nfs/dbraw/zinc/21/22/88/1080212288.db2.gz MWHYZXATXHIEAE-UHFFFAOYSA-N -1 1 405.476 0.888 20 0 HCADMM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCO)cc2)cc1 ZINC000055621962 1080212538 /nfs/dbraw/zinc/21/25/38/1080212538.db2.gz QXUFXIAXQAFJMV-UHFFFAOYSA-N -1 1 408.432 0.761 20 0 HCADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2C)ccc1O ZINC000055650529 1078030499 /nfs/dbraw/zinc/03/04/99/1078030499.db2.gz CNMBFWPIHYPWEI-UHFFFAOYSA-N -1 1 400.434 0.935 20 0 HCADMM COC(=O)COc1ccc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2C)cc1 ZINC000055650617 1078030616 /nfs/dbraw/zinc/03/06/16/1078030616.db2.gz JALBAAPSAMLARF-UHFFFAOYSA-N -1 1 414.461 0.995 20 0 HCADMM Cc1c([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)cccc1S(N)(=O)=O ZINC000055650623 1080213718 /nfs/dbraw/zinc/21/37/18/1080213718.db2.gz QJZSJACGLVIIJN-UHFFFAOYSA-N -1 1 405.479 0.091 20 0 HCADMM Cc1c([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)cccc1S(N)(=O)=O ZINC000055650638 1080213953 /nfs/dbraw/zinc/21/39/53/1080213953.db2.gz KRYUBNHVCMVWLF-UHFFFAOYSA-N -1 1 404.491 0.847 20 0 HCADMM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)cc1C ZINC000055668472 1080076027 /nfs/dbraw/zinc/07/60/27/1080076027.db2.gz ZBOWVQXFKAMMPW-UHFFFAOYSA-N -1 1 400.482 0.995 20 0 HCADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(F)cc(S(N)(=O)=O)c2)ccc1O ZINC000055678613 1078031313 /nfs/dbraw/zinc/03/13/13/1078031313.db2.gz BKBGQBXOMJIBJJ-UHFFFAOYSA-N -1 1 404.397 0.766 20 0 HCADMM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cc(F)cc(S(N)(=O)=O)c2)cc1 ZINC000055678617 1080214519 /nfs/dbraw/zinc/21/45/19/1080214519.db2.gz DKIKFIMHUZLOHG-UHFFFAOYSA-N -1 1 415.468 0.953 20 0 HCADMM CN1CCN(C(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(C(N)=O)cc3)cc2)CC1 ZINC000055688461 1080214238 /nfs/dbraw/zinc/21/42/38/1080214238.db2.gz FLYIKOMBYSEESN-UHFFFAOYSA-N -1 1 416.503 0.903 20 0 HCADMM COC(=O)CCN(CC(C)C)C(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC000055722175 1080214758 /nfs/dbraw/zinc/21/47/58/1080214758.db2.gz NDFNMNRLEZDAHK-UHFFFAOYSA-N -1 1 408.499 0.895 20 0 HCADMM CCCCOc1ccc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1OC ZINC000056058264 1080235787 /nfs/dbraw/zinc/23/57/87/1080235787.db2.gz PTHYLXKWEFEWHN-UHFFFAOYSA-N -1 1 411.480 0.750 20 0 HCADMM Cn1cc(S(=O)(=O)[N-]Cc2ccnc(OCc3ccccc3)c2)c(=O)n(C)c1=O ZINC000056060840 1080235713 /nfs/dbraw/zinc/23/57/13/1080235713.db2.gz VJSJJQDEPPWROX-UHFFFAOYSA-N -1 1 416.459 0.537 20 0 HCADMM Cc1cc(C)n(-c2ccc(CC[N-]S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)cc2)n1 ZINC000056061275 1078036628 /nfs/dbraw/zinc/03/66/28/1078036628.db2.gz HFKMQTJSZYPWDJ-UHFFFAOYSA-N -1 1 417.491 0.408 20 0 HCADMM COc1cc([C@H](C)[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc(OC)c1OC ZINC000056063820 1078036553 /nfs/dbraw/zinc/03/65/53/1078036553.db2.gz WYRAFAVFLSXCHC-JTQLQIEISA-N -1 1 413.452 0.149 20 0 HCADMM COc1cc([C@@H](C)[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc(OC)c1OC ZINC000056063821 1078036489 /nfs/dbraw/zinc/03/64/89/1078036489.db2.gz WYRAFAVFLSXCHC-SNVBAGLBSA-N -1 1 413.452 0.149 20 0 HCADMM Cn1cc(S(=O)(=O)[N-]Cc2cccc(OCC(F)(F)F)c2)c(=O)n(C)c1=O ZINC000056064097 1078036532 /nfs/dbraw/zinc/03/65/32/1078036532.db2.gz ZRQIKLDUUZOLDI-UHFFFAOYSA-N -1 1 407.370 0.504 20 0 HCADMM C[C@H](Cc1ccc(Br)cc1)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000056067257 1080236181 /nfs/dbraw/zinc/23/61/81/1080236181.db2.gz VWVHXLGJDCHGCK-SNVBAGLBSA-N -1 1 416.297 0.756 20 0 HCADMM CC[C@@H](C)C(=O)Nc1cccc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC000056079692 1080237004 /nfs/dbraw/zinc/23/70/04/1080237004.db2.gz FSQHVNVMEPGZGN-GFCCVEGCSA-N -1 1 408.480 0.547 20 0 HCADMM CC[C@H](C)C(=O)Nc1cccc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC000056079693 1080237106 /nfs/dbraw/zinc/23/71/06/1080237106.db2.gz FSQHVNVMEPGZGN-LBPRGKRZSA-N -1 1 408.480 0.547 20 0 HCADMM CC[C@@H](C)NC(=O)c1cccc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC000056080196 1078037093 /nfs/dbraw/zinc/03/70/93/1078037093.db2.gz WRCYBLMZJBEYBS-GFCCVEGCSA-N -1 1 408.480 0.091 20 0 HCADMM CC[C@H](C)NC(=O)c1cccc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC000056080199 1078037188 /nfs/dbraw/zinc/03/71/88/1078037188.db2.gz WRCYBLMZJBEYBS-LBPRGKRZSA-N -1 1 408.480 0.091 20 0 HCADMM Cn1cc(S(=O)(=O)[N-]CCc2ccc(OC(F)(F)F)cc2)c(=O)n(C)c1=O ZINC000056085851 1078035680 /nfs/dbraw/zinc/03/56/80/1078035680.db2.gz JQZUMIUWFOUHOM-UHFFFAOYSA-N -1 1 407.370 0.504 20 0 HCADMM COCCNS(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2c(C)noc2C)cc1 ZINC000056088779 1078037594 /nfs/dbraw/zinc/03/75/94/1078037594.db2.gz WHYJADSYIRQNKJ-UHFFFAOYSA-N -1 1 403.482 0.695 20 0 HCADMM Cn1cc(S(=O)(=O)[N-]CCOc2ccc(C(F)(F)F)cc2)c(=O)n(C)c1=O ZINC000056101046 1080238507 /nfs/dbraw/zinc/23/85/07/1080238507.db2.gz GSGMUIPYYQOESK-UHFFFAOYSA-N -1 1 407.370 0.460 20 0 HCADMM CCOc1cc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)ccc1OC(F)F ZINC000056102947 1078037894 /nfs/dbraw/zinc/03/78/94/1078037894.db2.gz CJJBOOYLPMFCJI-UHFFFAOYSA-N -1 1 419.406 0.563 20 0 HCADMM COc1ccc(Br)c(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC000056105607 1078037301 /nfs/dbraw/zinc/03/73/01/1078037301.db2.gz RWHJCYUQVMBCSC-UHFFFAOYSA-N -1 1 418.269 0.334 20 0 HCADMM Cn1cc(S(=O)(=O)[N-]Cc2ccc(OCc3ccccn3)cc2)c(=O)n(C)c1=O ZINC000056117735 1078816673 /nfs/dbraw/zinc/81/66/73/1078816673.db2.gz ACAJFIVVYCSLKU-UHFFFAOYSA-N -1 1 416.459 0.537 20 0 HCADMM Cn1cc(S(=O)(=O)[N-]CCCC(=O)Nc2ccc(Cl)cc2)c(=O)n(C)c1=O ZINC000056124417 1078851635 /nfs/dbraw/zinc/85/16/35/1078851635.db2.gz PBFAKBFMJORLCV-UHFFFAOYSA-N -1 1 414.871 0.435 20 0 HCADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCN(CC(=O)NC(C)C)CC1 ZINC000056158789 1080241953 /nfs/dbraw/zinc/24/19/53/1080241953.db2.gz NJOJSJDSIDTSQY-UHFFFAOYSA-N -1 1 412.494 0.352 20 0 HCADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCN(CC(=O)NC(C)C)CC1 ZINC000056158794 1080241742 /nfs/dbraw/zinc/24/17/42/1080241742.db2.gz ONGXYUWDUKJGTN-UHFFFAOYSA-N -1 1 412.494 0.352 20 0 HCADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000056180253 1080242444 /nfs/dbraw/zinc/24/24/44/1080242444.db2.gz UMPWPPJYUVOFPN-UHFFFAOYSA-N -1 1 410.478 0.106 20 0 HCADMM CCOC(=O)C(NC(=O)Cc1c(C)nc(-c2ccncc2)[n-]c1=O)C(=O)OCC ZINC000056283393 1080246139 /nfs/dbraw/zinc/24/61/39/1080246139.db2.gz NHIITYRUXAINSK-UHFFFAOYSA-N -1 1 402.407 0.294 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)o1 ZINC000056299474 1079850376 /nfs/dbraw/zinc/85/03/76/1079850376.db2.gz NJSBYCGYCAOAGL-UHFFFAOYSA-N -1 1 406.464 0.828 20 0 HCADMM NS(=O)(=O)CCNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000056862466 1080279730 /nfs/dbraw/zinc/27/97/30/1080279730.db2.gz IHCFKJKOKGSRJP-UHFFFAOYSA-N -1 1 415.468 0.574 20 0 HCADMM COc1cc(NC(=O)CN(C)c2ncnc3nc[nH]c32)ccc1[N-]S(C)(=O)=O ZINC000056891484 1080282488 /nfs/dbraw/zinc/28/24/88/1080282488.db2.gz OJKKRWCSQYBXOU-UHFFFAOYSA-N -1 1 405.440 0.808 20 0 HCADMM Cn1cc(S(=O)(=O)[N-]CC2(c3ccc(F)cc3)CCOCC2)c(=O)n(C)c1=O ZINC000057010262 1079863976 /nfs/dbraw/zinc/86/39/76/1079863976.db2.gz OOELNWUPCSMUIK-UHFFFAOYSA-N -1 1 411.455 0.250 20 0 HCADMM Cn1cc(S(=O)(=O)[N-]CCOc2cccc(Cl)c2Cl)c(=O)n(C)c1=O ZINC000057021730 1079865180 /nfs/dbraw/zinc/86/51/80/1079865180.db2.gz OTSIXXCDVDASHF-UHFFFAOYSA-N -1 1 408.263 0.748 20 0 HCADMM Cc1ccccc1C1(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CCOCC1 ZINC000057022855 1079865128 /nfs/dbraw/zinc/86/51/28/1079865128.db2.gz HRVDCTMUVSGYLG-UHFFFAOYSA-N -1 1 407.492 0.419 20 0 HCADMM Cc1cc(Cl)ccc1OCCC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000057024099 1079865215 /nfs/dbraw/zinc/86/52/15/1079865215.db2.gz TVYIOULOFKRTPU-UHFFFAOYSA-N -1 1 401.872 0.793 20 0 HCADMM CSc1nc(C)c(CCC(=O)NCCN2CCN(c3ncccn3)CC2)c(=O)[n-]1 ZINC000057062636 1079865688 /nfs/dbraw/zinc/86/56/88/1079865688.db2.gz NSESJOLLSQTQJC-UHFFFAOYSA-N -1 1 417.539 0.461 20 0 HCADMM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1ccc(CS(N)(=O)=O)cc1 ZINC000057116916 1079867343 /nfs/dbraw/zinc/86/73/43/1079867343.db2.gz OIGNEKJCMLGXAY-UHFFFAOYSA-N -1 1 414.461 0.912 20 0 HCADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2ccc(OCC(N)=O)cc2)c(F)c1 ZINC000057117254 1079867362 /nfs/dbraw/zinc/86/73/62/1079867362.db2.gz BLXCQQRPBHTUQV-UHFFFAOYSA-N -1 1 417.440 0.862 20 0 HCADMM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1cccc(NS(N)(=O)=O)c1 ZINC000057118372 1079867513 /nfs/dbraw/zinc/86/75/13/1079867513.db2.gz BDVZDSQTYRJGOG-UHFFFAOYSA-N -1 1 415.449 0.739 20 0 HCADMM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2-n2cnnn2)cc2c1OCCO2 ZINC000057118477 1079867531 /nfs/dbraw/zinc/86/75/31/1079867531.db2.gz LLLSICVKXXPMSU-UHFFFAOYSA-N -1 1 403.376 0.933 20 0 HCADMM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)NCCO)cc1 ZINC000057118712 1079867432 /nfs/dbraw/zinc/86/74/32/1079867432.db2.gz MPPIJUSHFLIWJR-UHFFFAOYSA-N -1 1 408.432 0.845 20 0 HCADMM COCCN(Cc1ccccn1)C(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC000057248521 1079872365 /nfs/dbraw/zinc/87/23/65/1079872365.db2.gz SNSLNSQEQOAVNR-UHFFFAOYSA-N -1 1 415.494 0.918 20 0 HCADMM CC(C)(NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1)C(N)=O ZINC000057256007 1079873138 /nfs/dbraw/zinc/87/31/38/1079873138.db2.gz WPRSIZPBCDYXLK-UHFFFAOYSA-N -1 1 417.447 0.651 20 0 HCADMM CCOC(=O)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000057299564 1080307054 /nfs/dbraw/zinc/30/70/54/1080307054.db2.gz BMKLWEXCIOBHDR-UHFFFAOYSA-N -1 1 418.431 0.950 20 0 HCADMM NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)N3CCOCC3)cc2)cc1 ZINC000057500011 1079879641 /nfs/dbraw/zinc/87/96/41/1079879641.db2.gz JHUVGHJGWMIMCH-UHFFFAOYSA-N -1 1 403.460 0.988 20 0 HCADMM C[C@@]1(c2cccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)c2)NC(=O)NC1=O ZINC000057504543 1080325884 /nfs/dbraw/zinc/32/58/84/1080325884.db2.gz DUYZCMZYWWTHBO-KRWDZBQOSA-N -1 1 401.404 0.712 20 0 HCADMM C[C@]1(c2cccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)c2)NC(=O)NC1=O ZINC000057504549 1080326738 /nfs/dbraw/zinc/32/67/38/1080326738.db2.gz DUYZCMZYWWTHBO-QGZVFWFLSA-N -1 1 401.404 0.712 20 0 HCADMM C[C@@]1(c2cccc([N-]S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)c2)NC(=O)NC1=O ZINC000057504609 1080326614 /nfs/dbraw/zinc/32/66/14/1080326614.db2.gz UFNKEJHIWIIALQ-SFHVURJKSA-N -1 1 416.415 0.873 20 0 HCADMM C[C@]1(c2cccc([N-]S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)c2)NC(=O)NC1=O ZINC000057504613 1080326527 /nfs/dbraw/zinc/32/65/27/1080326527.db2.gz UFNKEJHIWIIALQ-GOSISDBHSA-N -1 1 416.415 0.873 20 0 HCADMM Cn1c2ccc(S(=O)(=O)[N-]c3cccc([C@]4(C)NC(=O)NC4=O)c3)cc2oc1=O ZINC000057504639 1080326677 /nfs/dbraw/zinc/32/66/77/1080326677.db2.gz FSXSYRZQJDWYNO-SFHVURJKSA-N -1 1 416.415 0.987 20 0 HCADMM Cn1c2ccc(S(=O)(=O)[N-]c3cccc([C@@]4(C)NC(=O)NC4=O)c3)cc2oc1=O ZINC000057504642 1080326457 /nfs/dbraw/zinc/32/64/57/1080326457.db2.gz FSXSYRZQJDWYNO-GOSISDBHSA-N -1 1 416.415 0.987 20 0 HCADMM CS(=O)(=O)Cc1cccc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)c1 ZINC000058496216 1079887587 /nfs/dbraw/zinc/88/75/87/1079887587.db2.gz VHNJYEVVGHAYGR-UHFFFAOYSA-N -1 1 404.491 0.679 20 0 HCADMM CS(=O)(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000058496314 1079887633 /nfs/dbraw/zinc/88/76/33/1079887633.db2.gz XRHPPNBUGACQTQ-UHFFFAOYSA-N -1 1 404.491 0.679 20 0 HCADMM Cn1cc(S(=O)(=O)[N-]CC(C)(C)c2ccc3c(c2)OCCO3)c(=O)n(C)c1=O ZINC000058509903 1079888112 /nfs/dbraw/zinc/88/81/12/1079888112.db2.gz CEJALDZVUVLXBR-UHFFFAOYSA-N -1 1 409.464 0.111 20 0 HCADMM C[C@H](NC(=O)c1ccoc1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000059367809 1079894826 /nfs/dbraw/zinc/89/48/26/1079894826.db2.gz QVFNJEIEBZBBTD-LBPRGKRZSA-N -1 1 423.447 0.763 20 0 HCADMM C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000059367810 1079894851 /nfs/dbraw/zinc/89/48/51/1079894851.db2.gz QVFNJEIEBZBBTD-GFCCVEGCSA-N -1 1 423.447 0.763 20 0 HCADMM O=S(=O)([N-]c1ccc(S(=O)(=O)NC2CC2)cc1)c1cccc(-n2cnnn2)c1 ZINC000060165906 1079896221 /nfs/dbraw/zinc/89/62/21/1079896221.db2.gz GHIKQJNGFPEBBB-UHFFFAOYSA-N -1 1 420.476 0.904 20 0 HCADMM COc1ccc(NS(=O)(=O)c2cccc(-n3cnnn3)c2)cc1[N-]S(C)(=O)=O ZINC000060165913 1079896328 /nfs/dbraw/zinc/89/63/28/1079896328.db2.gz OXDXJCVYZLYBBU-UHFFFAOYSA-N -1 1 424.464 0.843 20 0 HCADMM C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1nnc(S(C)(=O)=O)[n-]1)C2=O ZINC000060242204 1079896344 /nfs/dbraw/zinc/89/63/44/1079896344.db2.gz KBNOXNURHXMPEI-ABKXIKBNSA-N -1 1 412.472 0.284 20 0 HCADMM C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1nc(S(C)(=O)=O)n[n-]1)C2=O ZINC000060242204 1079896341 /nfs/dbraw/zinc/89/63/41/1079896341.db2.gz KBNOXNURHXMPEI-ABKXIKBNSA-N -1 1 412.472 0.284 20 0 HCADMM C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1nnc(S(C)(=O)=O)[n-]1)C2=O ZINC000060242205 1079896241 /nfs/dbraw/zinc/89/62/41/1079896241.db2.gz KBNOXNURHXMPEI-FVMDXXJSSA-N -1 1 412.472 0.284 20 0 HCADMM C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1nc(S(C)(=O)=O)n[n-]1)C2=O ZINC000060242205 1079896237 /nfs/dbraw/zinc/89/62/37/1079896237.db2.gz KBNOXNURHXMPEI-FVMDXXJSSA-N -1 1 412.472 0.284 20 0 HCADMM C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1nnc(S(C)(=O)=O)[n-]1)C2=O ZINC000060242206 1079896316 /nfs/dbraw/zinc/89/63/16/1079896316.db2.gz KBNOXNURHXMPEI-JDNHERCYSA-N -1 1 412.472 0.284 20 0 HCADMM C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1nc(S(C)(=O)=O)n[n-]1)C2=O ZINC000060242206 1079896313 /nfs/dbraw/zinc/89/63/13/1079896313.db2.gz KBNOXNURHXMPEI-JDNHERCYSA-N -1 1 412.472 0.284 20 0 HCADMM C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1nnc(S(C)(=O)=O)[n-]1)C2=O ZINC000060242207 1079896395 /nfs/dbraw/zinc/89/63/95/1079896395.db2.gz KBNOXNURHXMPEI-XXFAHNHDSA-N -1 1 412.472 0.284 20 0 HCADMM C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)Nc1nc(S(C)(=O)=O)n[n-]1)C2=O ZINC000060242207 1079896391 /nfs/dbraw/zinc/89/63/91/1079896391.db2.gz KBNOXNURHXMPEI-XXFAHNHDSA-N -1 1 412.472 0.284 20 0 HCADMM Cc1cc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc(S(=O)(=O)N(C)C)c1C ZINC000060242218 1079896273 /nfs/dbraw/zinc/89/62/73/1079896273.db2.gz KUGWPFDUBYYHNM-UHFFFAOYSA-N -1 1 401.470 0.328 20 0 HCADMM Cc1cc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)cc(S(=O)(=O)N(C)C)c1C ZINC000060242218 1079896271 /nfs/dbraw/zinc/89/62/71/1079896271.db2.gz KUGWPFDUBYYHNM-UHFFFAOYSA-N -1 1 401.470 0.328 20 0 HCADMM Cc1nn(C)c2ncc(S(=O)(=O)Nc3ccc(C(=O)NCC(=O)[O-])cc3)cc12 ZINC000060331641 1079897382 /nfs/dbraw/zinc/89/73/82/1079897382.db2.gz JEAONUMKKHCBDG-UHFFFAOYSA-N -1 1 403.420 0.892 20 0 HCADMM COc1cc(OC)c(NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)c(C(=O)[O-])c1 ZINC000060362445 1079898402 /nfs/dbraw/zinc/89/84/02/1079898402.db2.gz CPSVBLSLCOWTKR-UHFFFAOYSA-N -1 1 416.433 0.850 20 0 HCADMM CC(C)CCC(=O)NCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000060375539 1080381681 /nfs/dbraw/zinc/38/16/81/1080381681.db2.gz RBJUBDZSEGFFAU-UHFFFAOYSA-N -1 1 413.496 0.904 20 0 HCADMM Cn1c(CCC(=O)Nc2nn[n-]n2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000060380263 1080381634 /nfs/dbraw/zinc/38/16/34/1080381634.db2.gz BVGJMYSPUKLRRZ-UHFFFAOYSA-N -1 1 418.483 0.832 20 0 HCADMM Cn1c(CCC(=O)Nc2nnn[n-]2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000060380263 1080381631 /nfs/dbraw/zinc/38/16/31/1080381631.db2.gz BVGJMYSPUKLRRZ-UHFFFAOYSA-N -1 1 418.483 0.832 20 0 HCADMM CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1nn[n-]n1)n2C ZINC000060380268 1080381852 /nfs/dbraw/zinc/38/18/52/1080381852.db2.gz NIFXYKWLAURDGI-UHFFFAOYSA-N -1 1 406.472 0.688 20 0 HCADMM CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1nnn[n-]1)n2C ZINC000060380268 1080381842 /nfs/dbraw/zinc/38/18/42/1080381842.db2.gz NIFXYKWLAURDGI-UHFFFAOYSA-N -1 1 406.472 0.688 20 0 HCADMM CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)Nc3nn[n-]n3)CC2=O)cc1 ZINC000060380282 1079898375 /nfs/dbraw/zinc/89/83/75/1079898375.db2.gz FQIKBQLJLOVKCC-LLVKDONJSA-N -1 1 407.456 0.222 20 0 HCADMM CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)Nc3nnn[n-]3)CC2=O)cc1 ZINC000060380282 1079898372 /nfs/dbraw/zinc/89/83/72/1079898372.db2.gz FQIKBQLJLOVKCC-LLVKDONJSA-N -1 1 407.456 0.222 20 0 HCADMM CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)Nc3nn[n-]n3)CC2=O)cc1 ZINC000060380283 1079898878 /nfs/dbraw/zinc/89/88/78/1079898878.db2.gz FQIKBQLJLOVKCC-NSHDSACASA-N -1 1 407.456 0.222 20 0 HCADMM CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)Nc3nnn[n-]3)CC2=O)cc1 ZINC000060380283 1079898877 /nfs/dbraw/zinc/89/88/77/1079898877.db2.gz FQIKBQLJLOVKCC-NSHDSACASA-N -1 1 407.456 0.222 20 0 HCADMM Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)Nc3nn[n-]n3)CC2)c1 ZINC000060380350 1079898841 /nfs/dbraw/zinc/89/88/41/1079898841.db2.gz VSJBVLUXHCQAMQ-UHFFFAOYSA-N -1 1 421.483 0.068 20 0 HCADMM Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)Nc3nnn[n-]3)CC2)c1 ZINC000060380350 1079898840 /nfs/dbraw/zinc/89/88/40/1079898840.db2.gz VSJBVLUXHCQAMQ-UHFFFAOYSA-N -1 1 421.483 0.068 20 0 HCADMM COCCN1C(=O)C(=CNc2c(C)n(C)n(-c3ccccc3)c2=O)C(=O)[N-]C1=S ZINC000060860621 1073445079 /nfs/dbraw/zinc/44/50/79/1073445079.db2.gz LGBZIYHMBUZMJG-SDNWHVSQSA-N -1 1 415.475 0.670 20 0 HCADMM O=C1[N-]C(=S)NC(=O)C1=CNc1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000060861187 1073445264 /nfs/dbraw/zinc/44/52/64/1073445264.db2.gz IZSGYQVQNHLSOA-UHFFFAOYSA-N -1 1 406.445 0.585 20 0 HCADMM O=C1[N-]C(=S)NC(=O)C1=CNc1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC000060861293 1073445296 /nfs/dbraw/zinc/44/52/96/1073445296.db2.gz BZCFRKGITCFWFV-UHFFFAOYSA-N -1 1 406.445 0.585 20 0 HCADMM COCCN1C(=O)C(=CNc2cc(C(=O)OC)ccc2C(=O)OC)C(=O)[N-]C1=S ZINC000060861309 1073445276 /nfs/dbraw/zinc/44/52/76/1073445276.db2.gz FEPSWHCMBFGLFN-XFXZXTDPSA-N -1 1 421.431 0.445 20 0 HCADMM O=C1[N-]C(=S)NC(=O)C1=CNc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000060861343 1073445142 /nfs/dbraw/zinc/44/51/42/1073445142.db2.gz ODLDCARQGBLVON-UHFFFAOYSA-N -1 1 414.896 0.951 20 0 HCADMM COCCN1C(=O)C(=CNc2cccc(S(=O)(=O)N(C)C)c2)C(=O)[N-]C1=S ZINC000060861597 1073444770 /nfs/dbraw/zinc/44/47/70/1073444770.db2.gz DVKXTPVLXLRRDD-RAXLEYEMSA-N -1 1 412.493 0.122 20 0 HCADMM COCCN1C(=O)C(=CNc2cc(C(=O)OC)cc(C(=O)OC)c2)C(=O)[N-]C1=S ZINC000060862077 1073446740 /nfs/dbraw/zinc/44/67/40/1073446740.db2.gz BQTGOHUETICFJJ-LCYFTJDESA-N -1 1 421.431 0.445 20 0 HCADMM CC(C)CN1C(=O)C(=CNCCc2ccc(S(N)(=O)=O)cc2)C(=O)[N-]C1=S ZINC000060862087 1073446898 /nfs/dbraw/zinc/44/68/98/1073446898.db2.gz UXELOTACOIULKL-ZROIWOOFSA-N -1 1 410.521 0.249 20 0 HCADMM COCCN1C(=O)C(=CNNS(=O)(=O)c2cc(C)ccc2C)C(=O)[N-]C1=S ZINC000060862531 1073446144 /nfs/dbraw/zinc/44/61/44/1073446144.db2.gz KUNRHVXWEFCWHD-XFXZXTDPSA-N -1 1 412.493 0.700 20 0 HCADMM Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC=C1C(=O)[N-]C(=S)NC1=O ZINC000060862541 1073446314 /nfs/dbraw/zinc/44/63/14/1073446314.db2.gz DDWMXSTTWCVUNY-UHFFFAOYSA-N -1 1 408.505 0.996 20 0 HCADMM COCCN1C(=O)C(=CNNC(=O)c2ccc(OC)c(OC)c2)C(=O)[N-]C1=S ZINC000060862731 1073446013 /nfs/dbraw/zinc/44/60/13/1073446013.db2.gz AKGPIIQQNDXKHZ-LUAWRHEFSA-N -1 1 408.436 0.552 20 0 HCADMM COCCN1C(=O)C(=CNNC(=O)[C@H]2COc3ccccc3O2)C(=O)[N-]C1=S ZINC000060862784 1073445978 /nfs/dbraw/zinc/44/59/78/1073445978.db2.gz NGVAYDSYCWYIKY-CHOZFAJLSA-N -1 1 406.420 0.061 20 0 HCADMM COCCN1C(=O)C(=CNNC(=O)CSc2nc(C)cc(C)n2)C(=O)[N-]C1=S ZINC000060862888 1073446198 /nfs/dbraw/zinc/44/61/98/1073446198.db2.gz ZVCPMBUTYSHKBQ-XFFZJAGNSA-N -1 1 424.508 0.420 20 0 HCADMM CCN(CC)S(=O)(=O)c1ccc(OC)c(NC=C2C(=O)[N-]C(=S)NC2=O)c1 ZINC000060862918 1073446058 /nfs/dbraw/zinc/44/60/58/1073446058.db2.gz LAGYRFRMRLQGIV-UHFFFAOYSA-N -1 1 412.493 0.552 20 0 HCADMM COCCN1C(=O)C(=CNc2cc(S(C)(=O)=O)ccc2Cl)C(=O)[N-]C1=S ZINC000060862991 1073448033 /nfs/dbraw/zinc/44/80/33/1073448033.db2.gz QXWUBZYLXJOYRK-NTMALXAHSA-N -1 1 417.896 0.929 20 0 HCADMM COc1ccc(NC=C2C(=O)[N-]C(=S)NC2=O)cc1S(=O)(=O)N1CCCCC1 ZINC000060863041 1073447231 /nfs/dbraw/zinc/44/72/31/1073447231.db2.gz MSOYLNBQMLCJCX-UHFFFAOYSA-N -1 1 424.504 0.697 20 0 HCADMM COCCN1C(=O)C(=CNNC(=O)Cn2cnc3ccccc32)C(=O)[N-]C1=S ZINC000060863063 1073447756 /nfs/dbraw/zinc/44/77/56/1073447756.db2.gz MEACJKPJUWTHTD-FLIBITNWSA-N -1 1 402.436 0.271 20 0 HCADMM COCCN1C(=O)C(=CNNC(=O)CN2CCCc3ccccc32)C(=O)[N-]C1=S ZINC000060863072 1073447968 /nfs/dbraw/zinc/44/79/68/1073447968.db2.gz UMJCGNNGWZTQCX-KAMYIIQDSA-N -1 1 417.491 0.674 20 0 HCADMM COCCN1C(=O)C(=CNc2cc(OC)c(OC)cc2C(=O)OC)C(=O)[N-]C1=S ZINC000060863090 1073447603 /nfs/dbraw/zinc/44/76/03/1073447603.db2.gz HJCDKOXKBHQUMO-LUAWRHEFSA-N -1 1 423.447 0.676 20 0 HCADMM COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC=C1C(=O)[N-]C(=S)NC1=O ZINC000060863139 1073448088 /nfs/dbraw/zinc/44/80/88/1073448088.db2.gz UPEJFFOGFIPCOW-UHFFFAOYSA-N -1 1 424.504 0.697 20 0 HCADMM COCCN1C(=O)C(=CNc2cc(C)nn2-c2nc(C)cc(C)n2)C(=O)[N-]C1=S ZINC000060863244 1073448001 /nfs/dbraw/zinc/44/80/01/1073448001.db2.gz GVIYJNLBYZMAAC-LCYFTJDESA-N -1 1 415.479 0.773 20 0 HCADMM CC1CCN(S(=O)(=O)c2ccc(NC=C3C(=O)[N-]C(=S)NC3=O)cc2)CC1 ZINC000060863368 1073447924 /nfs/dbraw/zinc/44/79/24/1073447924.db2.gz LPKLMGPBGWFGPF-UHFFFAOYSA-N -1 1 408.505 0.934 20 0 HCADMM C[C@@H]1CN(S(=O)(=O)c2ccc(NC=C3C(=O)[N-]C(=S)NC3=O)cc2)C[C@@H](C)O1 ZINC000060863374 1073447862 /nfs/dbraw/zinc/44/78/62/1073447862.db2.gz OZIAGRXUPJTJCC-GHMZBOCLSA-N -1 1 424.504 0.311 20 0 HCADMM COCCN1C(=O)C(=CNc2ccc(S(=O)(=O)N(C)C)cc2)C(=O)[N-]C1=S ZINC000060863401 1073447391 /nfs/dbraw/zinc/44/73/91/1073447391.db2.gz NCOLKNWFHOMIFA-RAXLEYEMSA-N -1 1 412.493 0.122 20 0 HCADMM O=C1[N-]C(=S)NC(=O)C1=CNc1cccc(S(=O)(=O)N=C2CCCCCN2)c1 ZINC000060863444 1073447646 /nfs/dbraw/zinc/44/76/46/1073447646.db2.gz AJRXPEGYNJBHIM-UHFFFAOYSA-N -1 1 421.504 0.764 20 0 HCADMM COc1ccc(NC=C2C(=O)[N-]C(=S)N(CC(C)C)C2=O)cc1S(N)(=O)=O ZINC000060864013 1073447468 /nfs/dbraw/zinc/44/74/68/1073447468.db2.gz MSBSHZCYEORYPJ-XFFZJAGNSA-N -1 1 412.493 0.538 20 0 HCADMM COCCN1C(=O)C(=CNNC(=O)Cc2c[nH]c3ccccc23)C(=O)[N-]C1=S ZINC000060864140 1073448056 /nfs/dbraw/zinc/44/80/56/1073448056.db2.gz CVMVQJVPCCVQDO-RAXLEYEMSA-N -1 1 401.448 0.945 20 0 HCADMM COCCN1C(=O)C(=CNc2cc3c(cc2[N+](=O)[O-])OCCO3)C(=O)[N-]C1=S ZINC000060864204 1073447303 /nfs/dbraw/zinc/44/73/03/1073447303.db2.gz MGUUJAJIDIJCRO-HJWRWDBZSA-N -1 1 408.392 0.552 20 0 HCADMM O=C1[N-]C(=S)NC(=O)C1=CNc1ccc(S(=O)(=O)N=C2CCCCCN2)cc1 ZINC000060864239 1073448950 /nfs/dbraw/zinc/44/89/50/1073448950.db2.gz LCKWJCJKJVYYFO-UHFFFAOYSA-N -1 1 421.504 0.764 20 0 HCADMM CCOc1ccc(C(=O)NNC=C2C(=O)[N-]C(=S)N(CCOC)C2=O)cc1OC ZINC000060864595 1073448677 /nfs/dbraw/zinc/44/86/77/1073448677.db2.gz RAGMOJXAJQZQPP-BENRWUELSA-N -1 1 422.463 0.942 20 0 HCADMM CCN(CC)S(=O)(=O)c1ccc(NC)c(NC=C2C(=O)[N-]C(=S)NC2=O)c1 ZINC000060864882 1073449137 /nfs/dbraw/zinc/44/91/37/1073449137.db2.gz LFAMJBIZJDCODA-UHFFFAOYSA-N -1 1 411.509 0.586 20 0 HCADMM O=C1[N-]C(=S)NC(=O)C1=CNc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000060864888 1073449173 /nfs/dbraw/zinc/44/91/73/1073449173.db2.gz TZOVMFNRBBCMBS-UHFFFAOYSA-N -1 1 414.896 0.951 20 0 HCADMM C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC=C3C(=O)[N-]C(=S)NC3=O)cc2)C1 ZINC000060864912 1073448969 /nfs/dbraw/zinc/44/89/69/1073448969.db2.gz GXQGKWUNZNXVDM-LLVKDONJSA-N -1 1 408.505 0.934 20 0 HCADMM COCCN1C(=O)C(=CNc2ccc(S(=O)(=O)C(F)F)cc2)C(=O)[N-]C1=S ZINC000060865027 1073449308 /nfs/dbraw/zinc/44/93/08/1073449308.db2.gz JWSDMUDIAKUUCC-FLIBITNWSA-N -1 1 419.431 0.868 20 0 HCADMM Cc1ccc(NC=C2C(=O)[N-]C(=S)NC2=O)cc1S(=O)(=O)N1CCCCC1 ZINC000060865135 1073448803 /nfs/dbraw/zinc/44/88/03/1073448803.db2.gz DTEYLPIMHREHMW-UHFFFAOYSA-N -1 1 408.505 0.996 20 0 HCADMM CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC=C2C(=O)[N-]C(=S)NC2=O)cc1 ZINC000060865312 1073449025 /nfs/dbraw/zinc/44/90/25/1073449025.db2.gz HEUIMHZIUXEQMP-NSHDSACASA-N -1 1 410.521 0.783 20 0 HCADMM CCS(=O)(=O)c1ccc(O)c(NC=C2C(=O)[N-]C(=S)N(CCOC)C2=O)c1 ZINC000060865554 1073448846 /nfs/dbraw/zinc/44/88/46/1073448846.db2.gz AUMXWCHIIQBEEN-LUAWRHEFSA-N -1 1 413.477 0.371 20 0 HCADMM Cn1cc(S(=O)(=O)[N-]CCc2ccccc2Br)c(=O)n(C)c1=O ZINC000060922542 1079907440 /nfs/dbraw/zinc/90/74/40/1079907440.db2.gz SGTZQRCXNLDPOE-UHFFFAOYSA-N -1 1 402.270 0.368 20 0 HCADMM O=S(=O)([N-]CCN1CCCS1(=O)=O)c1cc(Br)cnc1Cl ZINC000060924696 1073473695 /nfs/dbraw/zinc/47/36/95/1073473695.db2.gz XNRJVARUTRZWET-UHFFFAOYSA-N -1 1 418.722 0.811 20 0 HCADMM O=C(COC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21)N[N-]C(=O)c1cccs1 ZINC000060931747 1073474289 /nfs/dbraw/zinc/47/42/89/1073474289.db2.gz FIHUOTCONDYTFR-UHFFFAOYSA-N -1 1 416.415 0.146 20 0 HCADMM O=C(CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)NN1CC(=O)[N-]C1=O ZINC000060969037 1073481498 /nfs/dbraw/zinc/48/14/98/1073481498.db2.gz QAULVKKZYCJPMW-UHFFFAOYSA-N -1 1 407.477 0.680 20 0 HCADMM CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)[N-]NC(=O)C(=O)NC(C)C)c1 ZINC000061087563 1073512725 /nfs/dbraw/zinc/51/27/25/1073512725.db2.gz HHPMLADQLOYJTK-UHFFFAOYSA-N -1 1 418.903 0.656 20 0 HCADMM O=C(COC(=O)Cn1nc(-c2ccccc2)oc1=O)N[N-]C(=O)c1cccs1 ZINC000061144796 1073557294 /nfs/dbraw/zinc/55/72/94/1073557294.db2.gz GYRGGLRIPGSJNE-UHFFFAOYSA-N -1 1 402.388 0.569 20 0 HCADMM O=C(COC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)N[N-]C(=O)c1cccs1 ZINC000061303308 1073637922 /nfs/dbraw/zinc/63/79/22/1073637922.db2.gz WKDCDRRMVKLYQR-UHFFFAOYSA-N -1 1 406.376 0.391 20 0 HCADMM O=C(COC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O)N[N-]C(=O)c1cccs1 ZINC000061370576 1073673142 /nfs/dbraw/zinc/67/31/42/1073673142.db2.gz AFDFXAKXDGEIFQ-UHFFFAOYSA-N -1 1 420.378 0.708 20 0 HCADMM CCS(=O)(=O)N1CCC(C(=O)OCC(=O)N[N-]C(=O)c2cccs2)CC1 ZINC000061391768 1073677772 /nfs/dbraw/zinc/67/77/72/1073677772.db2.gz FGNKNTBELAUXQE-UHFFFAOYSA-N -1 1 403.482 0.114 20 0 HCADMM Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)OCC(=O)[N-]C(=O)c1ccccc1 ZINC000061475976 1073748607 /nfs/dbraw/zinc/74/86/07/1073748607.db2.gz XHRNNGDDBJLEFN-UHFFFAOYSA-N -1 1 423.429 0.877 20 0 HCADMM COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)[N-]NC(=O)c2ccoc2)c1 ZINC000061501171 1073762557 /nfs/dbraw/zinc/76/25/57/1073762557.db2.gz BCIMGEHBNSQGHZ-UHFFFAOYSA-N -1 1 401.828 0.933 20 0 HCADMM O=C(COC(=O)CN1CCCS1(=O)=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000061506940 1073763107 /nfs/dbraw/zinc/76/31/07/1073763107.db2.gz YECMHOPPVYTMRB-UHFFFAOYSA-N -1 1 406.363 0.123 20 0 HCADMM CCCCS(=O)(=O)N1CCC[C@H]1C(=O)OCC(=O)N[N-]C(=O)c1cccs1 ZINC000061515537 1073764233 /nfs/dbraw/zinc/76/42/33/1073764233.db2.gz LQLPGWXBIBSZCN-LBPRGKRZSA-N -1 1 417.509 0.647 20 0 HCADMM CC(C)NC(=O)C(=O)NNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000061544369 1073767415 /nfs/dbraw/zinc/76/74/15/1073767415.db2.gz MXZHWLVUXRLCLK-UHFFFAOYSA-N -1 1 422.438 0.912 20 0 HCADMM CC(C)NC(=O)C(=O)NNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000061544417 1073767621 /nfs/dbraw/zinc/76/76/21/1073767621.db2.gz MMXHTTNLBQJQOC-UHFFFAOYSA-N -1 1 422.438 0.912 20 0 HCADMM CC(C)NC(=O)C(=O)NNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000061544692 1073767233 /nfs/dbraw/zinc/76/72/33/1073767233.db2.gz KYEDZLVUPQDLBG-UHFFFAOYSA-N -1 1 404.448 0.773 20 0 HCADMM NS(=O)(=O)c1ccc(SCC(=O)OCC(=O)[N-]C(=O)c2ccccc2)cc1 ZINC000061729343 1073850338 /nfs/dbraw/zinc/85/03/38/1073850338.db2.gz UCXVSDWZKXARHQ-UHFFFAOYSA-N -1 1 408.457 0.926 20 0 HCADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)N1CCC[C@H](NC(C)=O)C1 ZINC000062294229 1074024877 /nfs/dbraw/zinc/02/48/77/1074024877.db2.gz HEARFUWWLNSTIN-AWEZNQCLSA-N -1 1 411.480 0.732 20 0 HCADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)N1CCC2(CC1)OCCO2 ZINC000062294303 1080097121 /nfs/dbraw/zinc/09/71/21/1080097121.db2.gz MNPCMHPVJDOODO-UHFFFAOYSA-N -1 1 412.464 0.971 20 0 HCADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000062294330 1074025639 /nfs/dbraw/zinc/02/56/39/1074025639.db2.gz SGVYISHFUVHIRH-UHFFFAOYSA-N -1 1 423.491 0.686 20 0 HCADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 ZINC000062294506 1074025428 /nfs/dbraw/zinc/02/54/28/1074025428.db2.gz OSUIQXMSNKURDZ-LBPRGKRZSA-N -1 1 411.480 0.731 20 0 HCADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@H](C)C(=O)N1CCN(C(C)=O)CC1 ZINC000062294540 1074025513 /nfs/dbraw/zinc/02/55/13/1074025513.db2.gz UEWNTGQUHSHANH-CYBMUJFWSA-N -1 1 411.480 0.684 20 0 HCADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000062294543 1074025385 /nfs/dbraw/zinc/02/53/85/1074025385.db2.gz MAPXLXBIUQJHIK-QWHCGFSZSA-N -1 1 411.480 0.717 20 0 HCADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)NCCCN1CCCC1=O ZINC000062294753 1074025145 /nfs/dbraw/zinc/02/51/45/1074025145.db2.gz MQZVADMKIULSTN-UHFFFAOYSA-N -1 1 411.480 0.734 20 0 HCADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)NC(=O)N[C@H](C)COC ZINC000062294953 1074024921 /nfs/dbraw/zinc/02/49/21/1074024921.db2.gz CVNWGTQKQIACBK-LLVKDONJSA-N -1 1 401.441 0.466 20 0 HCADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)O[C@H](C)C(=O)N1CCC(C(N)=O)CC1 ZINC000062295124 1074026834 /nfs/dbraw/zinc/02/68/34/1074026834.db2.gz AUERRRDMNOIFSU-GFCCVEGCSA-N -1 1 411.480 0.717 20 0 HCADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)NC(=O)NCC(F)(F)F ZINC000062295162 1074026732 /nfs/dbraw/zinc/02/67/32/1074026732.db2.gz GJNUKIOZXASVDD-UHFFFAOYSA-N -1 1 411.358 0.993 20 0 HCADMM CS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)N[N-]C(=O)c2cccs2)c1 ZINC000062590383 1074176962 /nfs/dbraw/zinc/17/69/62/1074176962.db2.gz WYZQERZRDGHVFK-UHFFFAOYSA-N -1 1 400.409 0.909 20 0 HCADMM NS(=O)(=O)c1cc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)ccc1Cl ZINC000062930498 1080508548 /nfs/dbraw/zinc/50/85/48/1080508548.db2.gz XXMXTVPHPRVLLA-UHFFFAOYSA-N -1 1 414.856 0.764 20 0 HCADMM NS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)ccc1Cl ZINC000062930610 1080508965 /nfs/dbraw/zinc/50/89/65/1080508965.db2.gz KNPJSHCOFPSEGC-UHFFFAOYSA-N -1 1 402.841 0.958 20 0 HCADMM Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1cccc(CS(N)(=O)=O)c1 ZINC000062930923 1079925909 /nfs/dbraw/zinc/92/59/09/1079925909.db2.gz ZWIYMRYACURMFV-UHFFFAOYSA-N -1 1 418.518 0.988 20 0 HCADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(CS(N)(=O)=O)c2)ccc1O ZINC000062930925 1079926124 /nfs/dbraw/zinc/92/61/24/1079926124.db2.gz PMXWJLSVJTXOIG-UHFFFAOYSA-N -1 1 400.434 0.768 20 0 HCADMM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cccc(CS(N)(=O)=O)c2)cc1 ZINC000062930928 1080509804 /nfs/dbraw/zinc/50/98/04/1080509804.db2.gz BQTUKFMBOIRZFY-UHFFFAOYSA-N -1 1 411.505 0.955 20 0 HCADMM CS(=O)(=O)c1cc(S(=O)(=O)[N-]c2cccc(CS(N)(=O)=O)c2)ccc1F ZINC000062930943 1074250878 /nfs/dbraw/zinc/25/08/78/1074250878.db2.gz DVVILEBFLVJWOA-UHFFFAOYSA-N -1 1 422.481 0.819 20 0 HCADMM CN1C(=O)c2ccc(S(=O)(=O)[N-]c3cccc(CS(N)(=O)=O)c3)cc2C1=O ZINC000062930972 1079926924 /nfs/dbraw/zinc/92/69/24/1079926924.db2.gz NEKGAWNZMBSFBH-UHFFFAOYSA-N -1 1 409.445 0.502 20 0 HCADMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc(CS(N)(=O)=O)c2)cc1 ZINC000062930974 1079926753 /nfs/dbraw/zinc/92/67/53/1079926753.db2.gz IHQXZPJVCHBHCX-UHFFFAOYSA-N -1 1 404.491 0.679 20 0 HCADMM COc1ccccc1OCC(=O)N[N-]C(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1 ZINC000063122742 1074286419 /nfs/dbraw/zinc/28/64/19/1074286419.db2.gz CCFWRKOWAOVYLE-UHFFFAOYSA-N -1 1 423.403 0.847 20 0 HCADMM CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)[N-]NC(=O)NC(C)C)cc(C3CC3)nc21 ZINC000063269179 1074331591 /nfs/dbraw/zinc/33/15/91/1074331591.db2.gz SBHCJBNEIFMRMD-UHFFFAOYSA-N -1 1 402.455 0.971 20 0 HCADMM CCOC(=O)CCN(C(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O)C1CC1 ZINC000063443220 1080524473 /nfs/dbraw/zinc/52/44/73/1080524473.db2.gz BWTZZPUESXWDAV-UHFFFAOYSA-N -1 1 406.483 0.792 20 0 HCADMM CC(C)(C)OC(=O)NCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000063465329 1074370753 /nfs/dbraw/zinc/37/07/53/1074370753.db2.gz BRDOIGFLTMKQJK-UHFFFAOYSA-N -1 1 415.468 0.876 20 0 HCADMM NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)c2c([O-])cc(F)cc2F)cc1 ZINC000063543489 1074382456 /nfs/dbraw/zinc/38/24/56/1074382456.db2.gz AVGSFWQECKBNGM-UHFFFAOYSA-N -1 1 414.386 0.834 20 0 HCADMM CNC(=O)CCNC(=O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O ZINC000063778786 1074444524 /nfs/dbraw/zinc/44/45/24/1074444524.db2.gz LMCGKTNVWPSQDC-UHFFFAOYSA-N -1 1 422.419 0.967 20 0 HCADMM Cn1c2[nH]c(CCC(=O)NNC(=O)c3cc4ccccc4cc3[O-])nc2c(=O)[nH]c1=O ZINC000063809112 1074449090 /nfs/dbraw/zinc/44/90/90/1074449090.db2.gz KQUHWEMLVNUKIK-UHFFFAOYSA-N -1 1 422.401 0.203 20 0 HCADMM CS(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1 ZINC000063879698 1079948929 /nfs/dbraw/zinc/94/89/29/1079948929.db2.gz DBTYIKBJZRNBAX-UHFFFAOYSA-N -1 1 404.491 0.679 20 0 HCADMM CS(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000063879792 1079949957 /nfs/dbraw/zinc/94/99/57/1079949957.db2.gz PARSASTXXKWTST-UHFFFAOYSA-N -1 1 404.491 0.679 20 0 HCADMM O=C(CS(=O)(=O)c1ccc([O-])cc1)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000063927104 1079949828 /nfs/dbraw/zinc/94/98/28/1079949828.db2.gz URPUADSSRJNZDQ-DZGCQCFKSA-N -1 1 417.505 0.361 20 0 HCADMM CNC(=O)COc1ccc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)cc1OC ZINC000064061946 1074527011 /nfs/dbraw/zinc/52/70/11/1074527011.db2.gz MWZUZOVWUOLLGI-UHFFFAOYSA-N -1 1 400.387 0.933 20 0 HCADMM CNC(=O)COc1ccc(C(=O)OCC(=O)N[N-]C(=O)c2cccs2)cc1OC ZINC000064062294 1074526895 /nfs/dbraw/zinc/52/68/95/1074526895.db2.gz SGPGLQJKQLKYPP-UHFFFAOYSA-N -1 1 421.431 0.500 20 0 HCADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1 ZINC000064154012 1075777581 /nfs/dbraw/zinc/77/75/81/1075777581.db2.gz NXUGLZUMMCCXLW-UHFFFAOYSA-N -1 1 422.415 0.886 20 0 HCADMM CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)N[N-]C(=O)c2cccs2)c1 ZINC000064154453 1075782285 /nfs/dbraw/zinc/78/22/85/1075782285.db2.gz PCOASPVOLBGDGH-UHFFFAOYSA-N -1 1 413.433 0.443 20 0 HCADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000064334471 1079960183 /nfs/dbraw/zinc/96/01/83/1079960183.db2.gz GLEFYOGUBCYFFW-UHFFFAOYSA-N -1 1 417.491 0.991 20 0 HCADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCN(CC(=O)NC2CC2)CC1 ZINC000064335133 1079960020 /nfs/dbraw/zinc/96/00/20/1079960020.db2.gz OTYHLDFSUXVNMM-UHFFFAOYSA-N -1 1 400.483 0.407 20 0 HCADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NNC(=O)[C@@H]1COc2ccccc2O1 ZINC000064335332 1079256670 /nfs/dbraw/zinc/25/66/70/1079256670.db2.gz AQLIOKJRAWLCIX-INIZCTEOSA-N -1 1 411.418 0.972 20 0 HCADMM CCN(CC)C(=O)CN1CCN(C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)CC1 ZINC000064335709 1079959971 /nfs/dbraw/zinc/95/99/71/1079959971.db2.gz FDLPRZIAJBOTLT-UHFFFAOYSA-N -1 1 416.526 0.997 20 0 HCADMM CCS(=O)(=O)N1CCC(NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)CC1 ZINC000064335853 1079960056 /nfs/dbraw/zinc/96/00/56/1079960056.db2.gz MCZMMAAOSIZLDM-UHFFFAOYSA-N -1 1 409.512 0.915 20 0 HCADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCc1ccc(C(=O)NCC(N)=O)cc1 ZINC000064337076 1079960001 /nfs/dbraw/zinc/96/00/01/1079960001.db2.gz VPGGMSGYOCROBP-UHFFFAOYSA-N -1 1 424.461 0.516 20 0 HCADMM CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1 ZINC000064347959 1079960952 /nfs/dbraw/zinc/96/09/52/1079960952.db2.gz KILMALYSKVNQHI-SECBINFHSA-N -1 1 401.470 0.537 20 0 HCADMM CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)cc1 ZINC000064347959 1079960936 /nfs/dbraw/zinc/96/09/36/1079960936.db2.gz KILMALYSKVNQHI-SECBINFHSA-N -1 1 401.470 0.537 20 0 HCADMM CS(=O)(=O)c1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)[n-]1 ZINC000064348011 1079960617 /nfs/dbraw/zinc/96/06/17/1079960617.db2.gz ZKQJZBMZZVSAKA-UHFFFAOYSA-N -1 1 413.481 0.635 20 0 HCADMM CS(=O)(=O)c1n[n-]c(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)n1 ZINC000064348011 1079960608 /nfs/dbraw/zinc/96/06/08/1079960608.db2.gz ZKQJZBMZZVSAKA-UHFFFAOYSA-N -1 1 413.481 0.635 20 0 HCADMM CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1 ZINC000064348033 1079960736 /nfs/dbraw/zinc/96/07/36/1079960736.db2.gz HHQUSCOBDODBDW-UHFFFAOYSA-N -1 1 401.470 0.491 20 0 HCADMM CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)cc1 ZINC000064348033 1079960728 /nfs/dbraw/zinc/96/07/28/1079960728.db2.gz HHQUSCOBDODBDW-UHFFFAOYSA-N -1 1 401.470 0.491 20 0 HCADMM CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c1 ZINC000064348082 1079960645 /nfs/dbraw/zinc/96/06/45/1079960645.db2.gz DXWSVLOQSIAYLR-UHFFFAOYSA-N -1 1 401.470 0.491 20 0 HCADMM CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)c1 ZINC000064348082 1079960638 /nfs/dbraw/zinc/96/06/38/1079960638.db2.gz DXWSVLOQSIAYLR-UHFFFAOYSA-N -1 1 401.470 0.491 20 0 HCADMM O=C(CN1CCCN(S(=O)(=O)c2ccccc2)CC1)N[N-]C(=O)c1cccs1 ZINC000064353249 1079261864 /nfs/dbraw/zinc/26/18/64/1079261864.db2.gz GDAKKPUGINGWMA-UHFFFAOYSA-N -1 1 422.532 0.906 20 0 HCADMM CC(C)CC(=O)Nc1cccc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC000064403704 1079961506 /nfs/dbraw/zinc/96/15/06/1079961506.db2.gz QAWUBZAGCGOQMS-UHFFFAOYSA-N -1 1 408.480 0.547 20 0 HCADMM O=C(N[N-]C(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br)NC1CC1 ZINC000064428775 1078477797 /nfs/dbraw/zinc/47/77/97/1078477797.db2.gz GVNZDPLDZRUSFW-UHFFFAOYSA-N -1 1 417.285 0.996 20 0 HCADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2)c1 ZINC000064467692 1079963096 /nfs/dbraw/zinc/96/30/96/1079963096.db2.gz JNOSXPKMEQZTQH-UHFFFAOYSA-N -1 1 405.479 0.043 20 0 HCADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)c(S(N)(=O)=O)c2)c1 ZINC000064474918 1079963428 /nfs/dbraw/zinc/96/34/28/1079963428.db2.gz FSVFXAMNUAWVHZ-UHFFFAOYSA-N -1 1 419.506 0.351 20 0 HCADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(S(C)(=O)=O)c2)c1 ZINC000064475070 1079963026 /nfs/dbraw/zinc/96/30/26/1079963026.db2.gz FZJALCZUQJNJEZ-UHFFFAOYSA-N -1 1 404.491 0.799 20 0 HCADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N3CCNC3=O)cc2)c1 ZINC000064475234 1079963479 /nfs/dbraw/zinc/96/34/79/1079963479.db2.gz MNZGRXTWYNLJJZ-UHFFFAOYSA-N -1 1 410.477 0.925 20 0 HCADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-c3nnnn3C)c2)c1 ZINC000064475245 1079963232 /nfs/dbraw/zinc/96/32/32/1079963232.db2.gz WIGXEESGJCMLBC-UHFFFAOYSA-N -1 1 408.465 0.586 20 0 HCADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)c1 ZINC000064475300 1078500581 /nfs/dbraw/zinc/50/05/81/1078500581.db2.gz BXUKFQCAJAMISX-UHFFFAOYSA-N -1 1 419.506 0.767 20 0 HCADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(CS(N)(=O)=O)cc2)c1 ZINC000064475353 1079963276 /nfs/dbraw/zinc/96/32/76/1079963276.db2.gz GMQITBFSUDJANJ-UHFFFAOYSA-N -1 1 419.506 0.184 20 0 HCADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(NC(=O)COC)cc2)c1 ZINC000064475508 1078500320 /nfs/dbraw/zinc/50/03/20/1078500320.db2.gz JAOQTRBGDHFFRA-UHFFFAOYSA-N -1 1 413.477 0.980 20 0 HCADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(-n3cnnn3)c(C)c2)c1 ZINC000064475538 1079963366 /nfs/dbraw/zinc/96/33/66/1079963366.db2.gz QQDPHFITUIAYGY-UHFFFAOYSA-N -1 1 408.465 0.680 20 0 HCADMM CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)NC)c2)c1 ZINC000064475769 1079963295 /nfs/dbraw/zinc/96/32/95/1079963295.db2.gz FDJCDQOWJLTMKY-UHFFFAOYSA-N -1 1 419.506 0.304 20 0 HCADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-n3nnnc3C)c2)c1 ZINC000064475932 1079963066 /nfs/dbraw/zinc/96/30/66/1079963066.db2.gz LLLXFLCSQPSEOV-UHFFFAOYSA-N -1 1 408.465 0.680 20 0 HCADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCCC(N)=O)cc2)c1 ZINC000064476041 1079963149 /nfs/dbraw/zinc/96/31/49/1079963149.db2.gz SGECDIFDKFYSPP-UHFFFAOYSA-N -1 1 413.477 0.650 20 0 HCADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCC(=O)OC)cc2)c1 ZINC000064476045 1079964066 /nfs/dbraw/zinc/96/40/66/1079964066.db2.gz NVMPTRVMUAOOIT-UHFFFAOYSA-N -1 1 414.461 0.947 20 0 HCADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(NS(N)(=O)=O)c2)c1 ZINC000064476069 1079964194 /nfs/dbraw/zinc/96/41/94/1079964194.db2.gz SXCNDIFHWIZLFF-UHFFFAOYSA-N -1 1 420.494 0.011 20 0 HCADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(S(N)(=O)=O)ccc2C)c1 ZINC000064476084 1079964414 /nfs/dbraw/zinc/96/44/14/1079964414.db2.gz NGJZWEIJPWRODW-UHFFFAOYSA-N -1 1 419.506 0.351 20 0 HCADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(N3CCNC3=O)c2)c1 ZINC000064476103 1078500503 /nfs/dbraw/zinc/50/05/03/1078500503.db2.gz DYPMNQUWSUXTEM-UHFFFAOYSA-N -1 1 410.477 0.925 20 0 HCADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2C)c1 ZINC000064476616 1079964225 /nfs/dbraw/zinc/96/42/25/1079964225.db2.gz RMEAXHLLDBNEBX-UHFFFAOYSA-N -1 1 419.506 0.351 20 0 HCADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(CS(N)(=O)=O)c2)c1 ZINC000064477474 1079964473 /nfs/dbraw/zinc/96/44/73/1079964473.db2.gz HKYSMQAIZYVCFR-UHFFFAOYSA-N -1 1 419.506 0.184 20 0 HCADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(CS(C)(=O)=O)cc2)c1 ZINC000064477521 1079964482 /nfs/dbraw/zinc/96/44/82/1079964482.db2.gz BJARXROEFLYDKN-UHFFFAOYSA-N -1 1 418.518 0.940 20 0 HCADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(CS(C)(=O)=O)c2)c1 ZINC000064477541 1079964459 /nfs/dbraw/zinc/96/44/59/1079964459.db2.gz GHAXOGNNWWMXLY-UHFFFAOYSA-N -1 1 418.518 0.940 20 0 HCADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2CS(C)(=O)=O)c1 ZINC000064477550 1079964289 /nfs/dbraw/zinc/96/42/89/1079964289.db2.gz IABVGSDPZFVPKF-UHFFFAOYSA-N -1 1 418.518 0.940 20 0 HCADMM Cn1c2ccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)cc2n(C)c1=O ZINC000064477678 1079964253 /nfs/dbraw/zinc/96/42/53/1079964253.db2.gz KSXQIHBWQVTYRE-UHFFFAOYSA-N -1 1 401.404 0.208 20 0 HCADMM Cn1c2ccc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)N(C)C4=O)cc2n(C)c1=O ZINC000064477684 1079964498 /nfs/dbraw/zinc/96/44/98/1079964498.db2.gz SXWWSQJAIZVRDY-UHFFFAOYSA-N -1 1 400.416 0.904 20 0 HCADMM CN(C)S(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)n(C)c(=O)n3C)c1 ZINC000064477688 1079964392 /nfs/dbraw/zinc/96/43/92/1079964392.db2.gz YMDUFWYNHOQODJ-UHFFFAOYSA-N -1 1 424.504 0.928 20 0 HCADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)n(C)c(=O)n3C)c1 ZINC000064477716 1079964355 /nfs/dbraw/zinc/96/43/55/1079964355.db2.gz ZEFSBGSUQREFRT-UHFFFAOYSA-N -1 1 410.477 0.586 20 0 HCADMM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCC(N)=O)cc2)cc1 ZINC000064797225 1079974002 /nfs/dbraw/zinc/97/40/02/1079974002.db2.gz DLONTMCJXIRREN-UHFFFAOYSA-N -1 1 421.431 0.254 20 0 HCADMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1OCC(N)=O ZINC000065069154 1079977839 /nfs/dbraw/zinc/97/78/39/1079977839.db2.gz ROXOPGHWEZXLKW-UHFFFAOYSA-N -1 1 420.447 0.551 20 0 HCADMM CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1S(N)(=O)=O ZINC000065069903 1079977685 /nfs/dbraw/zinc/97/76/85/1079977685.db2.gz MIBTZBLKWJKQOS-UHFFFAOYSA-N -1 1 424.504 0.888 20 0 HCADMM Cn1cc(S(=O)(=O)[N-]CCc2cc(Br)ccc2F)c(=O)n(C)c1=O ZINC000065277786 1079982700 /nfs/dbraw/zinc/98/27/00/1079982700.db2.gz PEXAJOFJRGRRMY-UHFFFAOYSA-N -1 1 420.260 0.507 20 0 HCADMM CCNC(=O)COc1ccc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)cc1 ZINC000065832432 1080000452 /nfs/dbraw/zinc/00/04/52/1080000452.db2.gz HFYJQARHDKPLKI-UHFFFAOYSA-N -1 1 402.436 0.978 20 0 HCADMM O=C1CNC(=O)N1Cc1cccc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)c1 ZINC000065832444 1080000202 /nfs/dbraw/zinc/00/02/02/1080000202.db2.gz QFEZTNVUXOXQKN-UHFFFAOYSA-N -1 1 413.419 0.515 20 0 HCADMM CCNC(=O)COc1cccc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)c1 ZINC000065832465 1080000231 /nfs/dbraw/zinc/00/02/31/1080000231.db2.gz URQQJBPDKMFIAN-UHFFFAOYSA-N -1 1 402.436 0.978 20 0 HCADMM COc1ccc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)cc1OCC(N)=O ZINC000065832499 1080000476 /nfs/dbraw/zinc/00/04/76/1080000476.db2.gz HLMBXXJMNJIZGS-UHFFFAOYSA-N -1 1 404.408 0.336 20 0 HCADMM O=C(c1cccc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)c1)N1CCOCC1 ZINC000065832517 1080000326 /nfs/dbraw/zinc/00/03/26/1080000326.db2.gz WGFFYMUCVPKCHU-UHFFFAOYSA-N -1 1 414.447 0.936 20 0 HCADMM CN(C)C(=O)COc1cccc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)c1 ZINC000065832533 1080000257 /nfs/dbraw/zinc/00/02/57/1080000257.db2.gz PNZBVXYRYXTLGE-UHFFFAOYSA-N -1 1 402.436 0.930 20 0 HCADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(-n4cncn4)c(F)c3)cc2[nH]c1=O ZINC000065832646 1080000408 /nfs/dbraw/zinc/00/04/08/1080000408.db2.gz YMDJVEMMCUPUGN-UHFFFAOYSA-N -1 1 402.367 0.737 20 0 HCADMM CCc1ccc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)cc1S(N)(=O)=O ZINC000065832764 1080000380 /nfs/dbraw/zinc/00/03/80/1080000380.db2.gz ZWTVZKCHBNWZQH-UHFFFAOYSA-N -1 1 408.465 0.673 20 0 HCADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000065866863 1080001300 /nfs/dbraw/zinc/00/13/00/1080001300.db2.gz RBPMLBGXOILXLA-UHFFFAOYSA-N -1 1 404.448 0.916 20 0 HCADMM CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1ccc(Br)cc1[O-] ZINC000066045806 1080004181 /nfs/dbraw/zinc/00/41/81/1080004181.db2.gz YUVIYVVYMMYPNZ-JTQLQIEISA-N -1 1 405.270 0.530 20 0 HCADMM CN1CCN(C[C@H](NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)c2ccccc2)CC1 ZINC000110690945 1080432213 /nfs/dbraw/zinc/43/22/13/1080432213.db2.gz QOBIYGZSEGLIOZ-KRWDZBQOSA-N -1 1 408.462 0.330 20 0 HCADMM CN1CCN(C[C@@H](NC(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)c2ccccc2)CC1 ZINC000110690948 1080432002 /nfs/dbraw/zinc/43/20/02/1080432002.db2.gz QOBIYGZSEGLIOZ-QGZVFWFLSA-N -1 1 408.462 0.330 20 0 HCADMM COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2cccc(NC(=O)CO)c2)c1 ZINC000110836057 1080448025 /nfs/dbraw/zinc/44/80/25/1080448025.db2.gz BIOKLPJLOXIRBU-UHFFFAOYSA-N -1 1 422.415 0.991 20 0 HCADMM COCCOc1ncccc1NC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC000110865330 1080451584 /nfs/dbraw/zinc/45/15/84/1080451584.db2.gz RBOAFECEOHNYRO-UHFFFAOYSA-N -1 1 417.466 0.906 20 0 HCADMM COC(=O)CNC(=O)c1ccc(NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)cc1 ZINC000111008332 1080468458 /nfs/dbraw/zinc/46/84/58/1080468458.db2.gz JQNDXTVOQIXCSO-UHFFFAOYSA-N -1 1 411.418 0.723 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(CCCN2CCOCC2)Cc2ccncc2)o1 ZINC000111027398 1080472970 /nfs/dbraw/zinc/47/29/70/1080472970.db2.gz KAXNUKRJXOIZED-UHFFFAOYSA-N -1 1 422.507 0.947 20 0 HCADMM CCCS(=O)(=O)NC1CCN(C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)CC1 ZINC000111090333 1080486016 /nfs/dbraw/zinc/48/60/16/1080486016.db2.gz ZKOOOPPDYURCGI-UHFFFAOYSA-N -1 1 409.512 0.502 20 0 HCADMM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cc1S(N)(=O)=O ZINC000111214316 1080508682 /nfs/dbraw/zinc/50/86/82/1080508682.db2.gz RRJNXTXUKXBXCS-UHFFFAOYSA-N -1 1 411.417 0.027 20 0 HCADMM CS(=O)(=O)N1CCN(CCNC(=O)c2cc(Br)ccc2[O-])CC1 ZINC000115849718 1081010375 /nfs/dbraw/zinc/01/03/75/1081010375.db2.gz LKVWQVZASZGKMK-UHFFFAOYSA-N -1 1 406.302 0.462 20 0 HCADMM CS(=O)(=O)N1CCN(CCNC(=O)c2ccc(Br)cc2[O-])CC1 ZINC000116079613 1081035877 /nfs/dbraw/zinc/03/58/77/1081035877.db2.gz NNGPQFRXIFJYMJ-UHFFFAOYSA-N -1 1 406.302 0.462 20 0 HCADMM CNc1ccc(S(=O)(=O)NC)cc1[N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2 ZINC000116660406 1081073485 /nfs/dbraw/zinc/07/34/85/1081073485.db2.gz MPRUMJFYAUQDCZ-UHFFFAOYSA-N -1 1 410.477 0.932 20 0 HCADMM CS(=O)(=O)c1nc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)c2ccccn21 ZINC000138975998 1073595796 /nfs/dbraw/zinc/59/57/96/1073595796.db2.gz UZFUTAQYXKMIBM-UHFFFAOYSA-N -1 1 401.400 0.851 20 0 HCADMM NS(=O)(=O)c1ccc(Br)c(C(=O)[N-]NC(=O)NCc2ccco2)c1 ZINC000138988054 1073682604 /nfs/dbraw/zinc/68/26/04/1073682604.db2.gz KZMFYQTZOPXUGM-UHFFFAOYSA-N -1 1 417.241 0.834 20 0 HCADMM O=C(N[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000139210246 1078052578 /nfs/dbraw/zinc/05/25/78/1078052578.db2.gz NBENIORTXALZQZ-SSDOTTSWSA-N -1 1 404.363 0.589 20 0 HCADMM O=C(N[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 ZINC000139210359 1078052469 /nfs/dbraw/zinc/05/24/69/1078052469.db2.gz NBENIORTXALZQZ-ZETCQYMHSA-N -1 1 404.363 0.589 20 0 HCADMM COCCCNC(=O)N[N-]C(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000139663585 1079307081 /nfs/dbraw/zinc/30/70/81/1079307081.db2.gz MDRDTWVELKPXEA-UHFFFAOYSA-N -1 1 409.262 0.077 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CSC[C@@H]2C(=O)N2CCSCC2)o1 ZINC000140598759 1078818289 /nfs/dbraw/zinc/81/82/89/1078818289.db2.gz XNILMCZFPORORO-SNVBAGLBSA-N -1 1 405.523 0.278 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(Cc3nccn3C(F)F)CC2)o1 ZINC000195723596 1077626450 /nfs/dbraw/zinc/62/64/50/1077626450.db2.gz UMFXCCRBWSGWAH-UHFFFAOYSA-N -1 1 403.411 0.737 20 0 HCADMM CS(=O)(=O)N1CCN(C(=O)c2cc(I)ccc2[O-])CC1 ZINC000219114828 1077453754 /nfs/dbraw/zinc/45/37/54/1077453754.db2.gz UJRDOVITZGJMKT-UHFFFAOYSA-N -1 1 410.233 0.714 20 0 HCADMM COC(=O)CN(CC(=O)OC)C(=O)c1cc(I)ccc1[O-] ZINC000220460632 1077457881 /nfs/dbraw/zinc/45/78/81/1077457881.db2.gz NJDYBARKPHXWMC-UHFFFAOYSA-N -1 1 407.160 0.785 20 0 HCADMM O=C(CCNC(=O)c1cc(I)ccc1[O-])N1CCOCC1 ZINC000220768149 1077458653 /nfs/dbraw/zinc/45/86/53/1077458653.db2.gz ADTKMJAVRZTIKQ-UHFFFAOYSA-N -1 1 404.204 0.976 20 0 HCADMM CS(=O)(=O)N1CCN(C(=O)c2ccc(I)c([O-])c2)CC1 ZINC000230887144 1077781024 /nfs/dbraw/zinc/78/10/24/1077781024.db2.gz LUMPLGYVKDCWLJ-UHFFFAOYSA-N -1 1 410.233 0.714 20 0 HCADMM O=C(CCNC(=O)c1ccc(I)c([O-])c1)N1CCOCC1 ZINC000230887805 1077781078 /nfs/dbraw/zinc/78/10/78/1077781078.db2.gz DGCKIJLWNDTQCV-UHFFFAOYSA-N -1 1 404.204 0.976 20 0 HCADMM C[C@@H](NC(=O)c1ccc(I)c([O-])c1)C(=O)N1CCOCC1 ZINC000230890922 1077781161 /nfs/dbraw/zinc/78/11/61/1077781161.db2.gz LIALHNBJGVFWRL-SECBINFHSA-N -1 1 404.204 0.974 20 0 HCADMM C[C@H](NC(=O)c1ccc(I)c([O-])c1)C(=O)N1CCOCC1 ZINC000230890925 1077781236 /nfs/dbraw/zinc/78/12/36/1077781236.db2.gz LIALHNBJGVFWRL-VIFPVBQESA-N -1 1 404.204 0.974 20 0 HCADMM COC(=O)CN(CC(=O)OC)C(=O)c1ccc(I)c([O-])c1 ZINC000230893350 1077781003 /nfs/dbraw/zinc/78/10/03/1077781003.db2.gz QFXBWKFOPZIYLA-UHFFFAOYSA-N -1 1 407.160 0.785 20 0 HCADMM NS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc(I)c([O-])c2)C1 ZINC000230895540 1077781442 /nfs/dbraw/zinc/78/14/42/1077781442.db2.gz LJVZAFMBSQIYOQ-SECBINFHSA-N -1 1 410.233 0.890 20 0 HCADMM NS(=O)(=O)[C@H]1CCCN(C(=O)c2ccc(I)c([O-])c2)C1 ZINC000230895542 1077781720 /nfs/dbraw/zinc/78/17/20/1077781720.db2.gz LJVZAFMBSQIYOQ-VIFPVBQESA-N -1 1 410.233 0.890 20 0 HCADMM CN(C)S(=O)(=O)CC[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC000230996097 1074275641 /nfs/dbraw/zinc/27/56/41/1074275641.db2.gz VXTZEEITUYBIFI-UHFFFAOYSA-N -1 1 406.711 0.667 20 0 HCADMM C[C@@H](NC(=O)c1cc(I)ccc1[O-])C(=O)N1CCOCC1 ZINC000231361603 1077789896 /nfs/dbraw/zinc/78/98/96/1077789896.db2.gz PUWCWXBEEDEYRG-SECBINFHSA-N -1 1 404.204 0.974 20 0 HCADMM C[C@H](NC(=O)c1cc(I)ccc1[O-])C(=O)N1CCOCC1 ZINC000231361606 1077790227 /nfs/dbraw/zinc/79/02/27/1077790227.db2.gz PUWCWXBEEDEYRG-VIFPVBQESA-N -1 1 404.204 0.974 20 0 HCADMM NS(=O)(=O)[C@@H]1CCCN(C(=O)c2cc(I)ccc2[O-])C1 ZINC000231659852 1077800405 /nfs/dbraw/zinc/80/04/05/1077800405.db2.gz CTUFBLXHQKDCSZ-SECBINFHSA-N -1 1 410.233 0.890 20 0 HCADMM NS(=O)(=O)[C@H]1CCCN(C(=O)c2cc(I)ccc2[O-])C1 ZINC000231659856 1077800432 /nfs/dbraw/zinc/80/04/32/1077800432.db2.gz CTUFBLXHQKDCSZ-VIFPVBQESA-N -1 1 410.233 0.890 20 0 HCADMM O=C(c1cc(I)ccc1[O-])N1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000317553855 1081169581 /nfs/dbraw/zinc/16/95/81/1081169581.db2.gz BHRZPFUIYSQRGJ-AWEZNQCLSA-N -1 1 415.187 0.811 20 0 HCADMM O=C(c1cc(I)ccc1[O-])N1CCC[C@]2(C1)NC(=O)NC2=O ZINC000317553856 1081169633 /nfs/dbraw/zinc/16/96/33/1081169633.db2.gz BHRZPFUIYSQRGJ-CQSZACIVSA-N -1 1 415.187 0.811 20 0 HCADMM NC(=O)CN1CCC([N-]S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000325131049 1079300570 /nfs/dbraw/zinc/30/05/70/1079300570.db2.gz KWCJYSYQAFIXBG-UHFFFAOYSA-N -1 1 421.273 0.585 20 0 HCADMM O=C(NCCN1CCCS1(=O)=O)c1cc(I)ccc1[O-] ZINC000405872149 1077330303 /nfs/dbraw/zinc/33/03/03/1077330303.db2.gz UPOHSWRTERELPF-UHFFFAOYSA-N -1 1 410.233 0.762 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(C3CC3)c3ccccc32)o1 ZINC000428759303 1074591051 /nfs/dbraw/zinc/59/10/51/1074591051.db2.gz KZQKIELSHVWPGX-UHFFFAOYSA-N -1 1 404.448 0.672 20 0 HCADMM CNS(=O)(=O)C[C@H]1CCCN1C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000428839500 1080366968 /nfs/dbraw/zinc/36/69/68/1080366968.db2.gz KHCNBMYYFXVBLA-GFCCVEGCSA-N -1 1 420.513 0.612 20 0 HCADMM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000428839503 1080366911 /nfs/dbraw/zinc/36/69/11/1080366911.db2.gz KHCNBMYYFXVBLA-LBPRGKRZSA-N -1 1 420.513 0.612 20 0 HCADMM COC(=O)C[C@@H]1CN(C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)CCO1 ZINC000428845357 1080763050 /nfs/dbraw/zinc/76/30/50/1080763050.db2.gz IWJNWTSIHAADOF-GFCCVEGCSA-N -1 1 401.441 0.863 20 0 HCADMM COC(=O)C[C@H]1CN(C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)CCO1 ZINC000428845358 1080763246 /nfs/dbraw/zinc/76/32/46/1080763246.db2.gz IWJNWTSIHAADOF-LBPRGKRZSA-N -1 1 401.441 0.863 20 0 HCADMM COc1ccc(NC(=O)N2CCN(c3cnn(C)c3)C(=O)C2)cc1[N-]S(C)(=O)=O ZINC000428851102 1081267649 /nfs/dbraw/zinc/26/76/49/1081267649.db2.gz PMHPTYARLCGOHR-UHFFFAOYSA-N -1 1 422.467 0.681 20 0 HCADMM CS(=O)(=O)N1CC(CNC(=O)c2ccc(I)c([O-])c2)C1 ZINC000428882058 1081306661 /nfs/dbraw/zinc/30/66/61/1081306661.db2.gz MXNKKEKKMDEOMH-UHFFFAOYSA-N -1 1 410.233 0.618 20 0 HCADMM COC(=O)C[C@@H]1CN(C(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)CCO1 ZINC000428882873 1081309934 /nfs/dbraw/zinc/30/99/34/1081309934.db2.gz BCRWCKTUVXLVRH-GFCCVEGCSA-N -1 1 401.441 0.863 20 0 HCADMM COC(=O)C[C@H]1CN(C(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)CCO1 ZINC000428882878 1081310009 /nfs/dbraw/zinc/31/00/09/1081310009.db2.gz BCRWCKTUVXLVRH-LBPRGKRZSA-N -1 1 401.441 0.863 20 0 HCADMM CNS(=O)(=O)C[C@H]1CCCN1C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000428883530 1081312377 /nfs/dbraw/zinc/31/23/77/1081312377.db2.gz PRKGDMHFPSVFMD-GFCCVEGCSA-N -1 1 420.513 0.612 20 0 HCADMM CNS(=O)(=O)C[C@@H]1CCCN1C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000428883532 1081312422 /nfs/dbraw/zinc/31/24/22/1081312422.db2.gz PRKGDMHFPSVFMD-LBPRGKRZSA-N -1 1 420.513 0.612 20 0 HCADMM C[C@H]1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CCS1(=O)=O ZINC000428885594 1081311476 /nfs/dbraw/zinc/31/14/76/1081311476.db2.gz GUFDZHKMYMZBAX-JTQLQIEISA-N -1 1 414.502 0.395 20 0 HCADMM C[C@@H]1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CCS1(=O)=O ZINC000428885595 1081311551 /nfs/dbraw/zinc/31/15/51/1081311551.db2.gz GUFDZHKMYMZBAX-SNVBAGLBSA-N -1 1 414.502 0.395 20 0 HCADMM COc1cc(NC(=O)N2CCN(c3cnn(C)c3)C(=O)C2)ccc1[N-]S(C)(=O)=O ZINC000428885804 1081311627 /nfs/dbraw/zinc/31/16/27/1081311627.db2.gz IRJNSRZHFRDWOL-UHFFFAOYSA-N -1 1 422.467 0.681 20 0 HCADMM Cc1nc(C(=O)N[C@@H](C(=O)[O-])[C@@H]2CCCOC2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000432124052 939180989 /nfs/dbraw/zinc/18/09/89/939180989.db2.gz XSHCIVRKLCBMEC-HTQZYQBOSA-N -1 1 403.321 0.322 20 0 HCADMM Cc1nc(C(=O)N[C@@H](C(=O)[O-])[C@H]2CCCOC2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000432124053 939180964 /nfs/dbraw/zinc/18/09/64/939180964.db2.gz XSHCIVRKLCBMEC-JGVFFNPUSA-N -1 1 403.321 0.322 20 0 HCADMM Cc1nc(C(=O)N[C@H](C(=O)[O-])[C@@H]2CCCOC2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000432124054 939180917 /nfs/dbraw/zinc/18/09/17/939180917.db2.gz XSHCIVRKLCBMEC-SFYZADRCSA-N -1 1 403.321 0.322 20 0 HCADMM Cc1nc(C(=O)N[C@H](C(=O)[O-])[C@H]2CCCOC2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000432124055 939180959 /nfs/dbraw/zinc/18/09/59/939180959.db2.gz XSHCIVRKLCBMEC-YUMQZZPRSA-N -1 1 403.321 0.322 20 0 HCADMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3cccc(CN4CCOCC4)c3)cc2[nH]c1=O ZINC000444033531 1077332174 /nfs/dbraw/zinc/33/21/74/1077332174.db2.gz SNGQROQMOKZGES-UHFFFAOYSA-N -1 1 416.459 0.849 20 0 HCADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)[C@@H]3CC(=O)N(c4cn[nH]c4)C3)CC2)n1 ZINC000444756127 1078374670 /nfs/dbraw/zinc/37/46/70/1078374670.db2.gz QGFCIMUVSISWJX-GFCCVEGCSA-N -1 1 401.427 0.464 20 0 HCADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)[C@H]3CC(=O)N(c4cn[nH]c4)C3)CC2)n1 ZINC000444756128 1078374730 /nfs/dbraw/zinc/37/47/30/1078374730.db2.gz QGFCIMUVSISWJX-LBPRGKRZSA-N -1 1 401.427 0.464 20 0 HCADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)[C@H]1CCCN1CC(F)(F)F ZINC000462277579 1075323738 /nfs/dbraw/zinc/32/37/38/1075323738.db2.gz VFXZYXRGKVQGJT-SECBINFHSA-N -1 1 416.447 0.578 20 0 HCADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)[C@@H]1CCCN1CC(F)(F)F ZINC000462277581 1075323773 /nfs/dbraw/zinc/32/37/73/1075323773.db2.gz VFXZYXRGKVQGJT-VIFPVBQESA-N -1 1 416.447 0.578 20 0 HCADMM Cn1cc(S(=O)(=O)[N-][C@@H]2CCCN(c3ccccc3Cl)C2)c(=O)n(C)c1=O ZINC000462327549 1075348973 /nfs/dbraw/zinc/34/89/73/1075348973.db2.gz OZFNIULLHSSLQM-GFCCVEGCSA-N -1 1 412.899 0.685 20 0 HCADMM Cn1cc(S(=O)(=O)[N-][C@H]2CCCN(c3ccccc3Cl)C2)c(=O)n(C)c1=O ZINC000462327550 1075348959 /nfs/dbraw/zinc/34/89/59/1075348959.db2.gz OZFNIULLHSSLQM-LBPRGKRZSA-N -1 1 412.899 0.685 20 0 HCADMM Nc1c([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)cccc1S(N)(=O)=O ZINC000462365313 1075373260 /nfs/dbraw/zinc/37/32/60/1075373260.db2.gz KQZDOYYSUWCLNB-UHFFFAOYSA-N -1 1 422.488 0.552 20 0 HCADMM CCn1cc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)NCCN(C)C)c2)cn1 ZINC000462365373 1075373246 /nfs/dbraw/zinc/37/32/46/1075373246.db2.gz DFNDORNPZSURHM-UHFFFAOYSA-N -1 1 401.514 0.544 20 0 HCADMM NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)cc1 ZINC000462366106 1075369402 /nfs/dbraw/zinc/36/94/02/1075369402.db2.gz PEKRUFNFVWSUOG-UHFFFAOYSA-N -1 1 407.473 0.970 20 0 HCADMM NS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)c1 ZINC000462366620 1075373610 /nfs/dbraw/zinc/37/36/10/1075373610.db2.gz VKTHJMZRRTYUFW-UHFFFAOYSA-N -1 1 407.473 0.970 20 0 HCADMM NS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)c1 ZINC000462369368 1075370293 /nfs/dbraw/zinc/37/02/93/1075370293.db2.gz MFNNOZBXXRKIOL-UHFFFAOYSA-N -1 1 422.488 0.938 20 0 HCADMM CCn1cnc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)NCCN(C)C)c2)c1 ZINC000462369736 1075369985 /nfs/dbraw/zinc/36/99/85/1075369985.db2.gz QXXNAULARLIYPU-UHFFFAOYSA-N -1 1 401.514 0.544 20 0 HCADMM CCn1cc(S(=O)(=O)[N-]c2cccc(S(=O)(=O)NCCN(C)C)c2)nc1C ZINC000462370378 1075370393 /nfs/dbraw/zinc/37/03/93/1075370393.db2.gz SAWBGHIJCYREJU-UHFFFAOYSA-N -1 1 415.541 0.852 20 0 HCADMM CN(C)CCNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cncc(F)c2)c1 ZINC000462370776 1075370307 /nfs/dbraw/zinc/37/03/07/1075370307.db2.gz RNXXSPTVTNXMKO-UHFFFAOYSA-N -1 1 402.473 0.861 20 0 HCADMM Cc1noc(C)c1S(=O)(=O)[N-]c1cccc(S(=O)(=O)NCCN(C)C)c1 ZINC000462371815 1075371127 /nfs/dbraw/zinc/37/11/27/1075371127.db2.gz WABLVUUYFQIDCN-UHFFFAOYSA-N -1 1 402.498 0.932 20 0 HCADMM CN(C)C(=O)c1cc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)ccn1 ZINC000462378202 1075374267 /nfs/dbraw/zinc/37/42/67/1075374267.db2.gz FFCHUSGTZYLSGC-UHFFFAOYSA-N -1 1 400.460 0.841 20 0 HCADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H](CN3CCOCC3)C2)c(F)c1 ZINC000462396580 1075378174 /nfs/dbraw/zinc/37/81/74/1075378174.db2.gz SCLNQWCBIJRKFR-CYBMUJFWSA-N -1 1 421.516 0.540 20 0 HCADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H](CN3CCOCC3)C2)c(F)c1 ZINC000462396581 1075378233 /nfs/dbraw/zinc/37/82/33/1075378233.db2.gz SCLNQWCBIJRKFR-ZDUSSCGKSA-N -1 1 421.516 0.540 20 0 HCADMM CCN1CCN(c2ccccc2[N-]S(=O)(=O)c2cnn(CC(=O)OC)c2)CC1 ZINC000462450407 1075399315 /nfs/dbraw/zinc/39/93/15/1075399315.db2.gz DBTJQGQFBOZGDI-UHFFFAOYSA-N -1 1 407.496 0.999 20 0 HCADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000462461307 1075408375 /nfs/dbraw/zinc/40/83/75/1075408375.db2.gz CBBDAYXKQGXCFF-UHFFFAOYSA-N -1 1 418.475 0.588 20 0 HCADMM Cc1nc(C[N-]S(=O)(=O)c2cc3c(cc2Br)NC(=O)CO3)no1 ZINC000462497981 1075422191 /nfs/dbraw/zinc/42/21/91/1075422191.db2.gz CCPMWXMHRAGBBL-UHFFFAOYSA-N -1 1 403.214 0.950 20 0 HCADMM C[C@@H]1C[C@@H]1N1C[C@@H](NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC1=O ZINC000462564599 1075442567 /nfs/dbraw/zinc/44/25/67/1075442567.db2.gz HYKSLMHYIAWNAQ-CDMKHQONSA-N -1 1 405.473 0.485 20 0 HCADMM C[C@@H]1C[C@H]1N1C[C@H](NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC1=O ZINC000462564600 1075442468 /nfs/dbraw/zinc/44/24/68/1075442468.db2.gz HYKSLMHYIAWNAQ-IRUJWGPZSA-N -1 1 405.473 0.485 20 0 HCADMM C[C@@H]1C[C@H]1N1C[C@@H](NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC1=O ZINC000462564601 1075442290 /nfs/dbraw/zinc/44/22/90/1075442290.db2.gz HYKSLMHYIAWNAQ-SUZMYJTESA-N -1 1 405.473 0.485 20 0 HCADMM C[C@@H]1C[C@@H]1N1C[C@H](NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC1=O ZINC000462564602 1075442349 /nfs/dbraw/zinc/44/23/49/1075442349.db2.gz HYKSLMHYIAWNAQ-XWIASGKRSA-N -1 1 405.473 0.485 20 0 HCADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@]3(CNC(=O)C3)C2)c(F)c1 ZINC000462571754 1075441266 /nfs/dbraw/zinc/44/12/66/1075441266.db2.gz LWGMCJYZBKVHMU-HNNXBMFYSA-N -1 1 405.473 0.488 20 0 HCADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@@]3(CNC(=O)C3)C2)c(F)c1 ZINC000462571755 1075441343 /nfs/dbraw/zinc/44/13/43/1075441343.db2.gz LWGMCJYZBKVHMU-OAHLLOKOSA-N -1 1 405.473 0.488 20 0 HCADMM CC(C)(CCS(C)(=O)=O)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000462585185 1075454436 /nfs/dbraw/zinc/45/44/36/1075454436.db2.gz SLJBDDOSMFIPIG-UHFFFAOYSA-N -1 1 416.518 0.689 20 0 HCADMM Cn1cc(S(=O)(=O)[N-]Cc2ccc(C(=O)OC(C)(C)C)cc2)c(=O)n(C)c1=O ZINC000462594483 1075453024 /nfs/dbraw/zinc/45/30/24/1075453024.db2.gz RCQQOMWFUFYAAA-UHFFFAOYSA-N -1 1 409.464 0.518 20 0 HCADMM COCCOC[C@@H]1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000462616548 1075459823 /nfs/dbraw/zinc/45/98/23/1075459823.db2.gz MHQMKXWIDITJKD-GFCCVEGCSA-N -1 1 410.489 0.871 20 0 HCADMM COCCOC[C@H]1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C1 ZINC000462616553 1075459903 /nfs/dbraw/zinc/45/99/03/1075459903.db2.gz MHQMKXWIDITJKD-LBPRGKRZSA-N -1 1 410.489 0.871 20 0 HCADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@H]2CN2CCOCC2)c(F)c1 ZINC000462619316 1075460909 /nfs/dbraw/zinc/46/09/09/1075460909.db2.gz SXDGNFCMWSRTIT-AWEZNQCLSA-N -1 1 421.516 0.683 20 0 HCADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@@H]2CN2CCOCC2)c(F)c1 ZINC000462619317 1075460849 /nfs/dbraw/zinc/46/08/49/1075460849.db2.gz SXDGNFCMWSRTIT-CQSZACIVSA-N -1 1 421.516 0.683 20 0 HCADMM Cn1cc(S(=O)(=O)[N-][C@@H]2COc3c2ccc(Cl)c3Cl)c(=O)n(C)c1=O ZINC000462622781 1075461848 /nfs/dbraw/zinc/46/18/48/1075461848.db2.gz RVZLNRPZJWQIRX-SECBINFHSA-N -1 1 406.247 0.803 20 0 HCADMM Cn1cc(S(=O)(=O)[N-][C@H]2COc3c2ccc(Cl)c3Cl)c(=O)n(C)c1=O ZINC000462622782 1075461944 /nfs/dbraw/zinc/46/19/44/1075461944.db2.gz RVZLNRPZJWQIRX-VIFPVBQESA-N -1 1 406.247 0.803 20 0 HCADMM CNS(=O)(=O)c1cccc([C@@H](C)[N-]S(=O)(=O)c2scnc2C(=O)OC)c1 ZINC000462651833 1075472451 /nfs/dbraw/zinc/47/24/51/1075472451.db2.gz ARXSEJZXLDLCHH-SECBINFHSA-N -1 1 419.506 0.877 20 0 HCADMM CNS(=O)(=O)c1cccc([C@H](C)[N-]S(=O)(=O)c2scnc2C(=O)OC)c1 ZINC000462651834 1075472487 /nfs/dbraw/zinc/47/24/87/1075472487.db2.gz ARXSEJZXLDLCHH-VIFPVBQESA-N -1 1 419.506 0.877 20 0 HCADMM CCNC(=O)COc1cccc(C[N-]S(=O)(=O)c2scnc2C(=O)OC)c1 ZINC000462658647 1075471051 /nfs/dbraw/zinc/47/10/51/1075471051.db2.gz KNMJQZUPXPSRMV-UHFFFAOYSA-N -1 1 413.477 0.923 20 0 HCADMM CCNS(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2scnc2C(=O)OC)cc1 ZINC000462663222 1075478737 /nfs/dbraw/zinc/47/87/37/1075478737.db2.gz YPUQDYMXRJQFKZ-UHFFFAOYSA-N -1 1 419.506 0.706 20 0 HCADMM COc1ccccc1-c1noc([C@H](C)[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)n1 ZINC000462663498 1075478718 /nfs/dbraw/zinc/47/87/18/1075478718.db2.gz VACVYHHRGWSBPB-JTQLQIEISA-N -1 1 421.435 0.182 20 0 HCADMM COc1ccccc1-c1noc([C@@H](C)[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)n1 ZINC000462663499 1075478669 /nfs/dbraw/zinc/47/86/69/1075478669.db2.gz VACVYHHRGWSBPB-SNVBAGLBSA-N -1 1 421.435 0.182 20 0 HCADMM COC(=O)COc1cccc(C[N-]S(=O)(=O)c2scnc2C(=O)OC)c1 ZINC000462668535 1075481001 /nfs/dbraw/zinc/48/10/01/1075481001.db2.gz YXNQWPLGQCCYPH-UHFFFAOYSA-N -1 1 400.434 0.960 20 0 HCADMM C[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1nc(-c2cccc(F)c2)no1 ZINC000462669613 1075481595 /nfs/dbraw/zinc/48/15/95/1075481595.db2.gz TULWKWWUJWAKPD-SECBINFHSA-N -1 1 409.399 0.313 20 0 HCADMM C[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1nc(-c2cccc(F)c2)no1 ZINC000462669614 1075481553 /nfs/dbraw/zinc/48/15/53/1075481553.db2.gz TULWKWWUJWAKPD-VIFPVBQESA-N -1 1 409.399 0.313 20 0 HCADMM COc1cccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)n2)c1 ZINC000462671779 1075476114 /nfs/dbraw/zinc/47/61/14/1075476114.db2.gz BFAUKLHINXEITC-JTQLQIEISA-N -1 1 421.435 0.182 20 0 HCADMM COc1cccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)n2)c1 ZINC000462671780 1075476086 /nfs/dbraw/zinc/47/60/86/1075476086.db2.gz BFAUKLHINXEITC-SNVBAGLBSA-N -1 1 421.435 0.182 20 0 HCADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000462674073 1075488837 /nfs/dbraw/zinc/48/88/37/1075488837.db2.gz DBDXHGNKBAUZBY-UHFFFAOYSA-N -1 1 413.431 0.436 20 0 HCADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCOC[C@@H]2[C@@H]2CCCC2=O)c(F)c1 ZINC000462674213 1075482074 /nfs/dbraw/zinc/48/20/74/1075482074.db2.gz DQBGJOSEYAHOJV-GXTWGEPZSA-N -1 1 420.484 0.956 20 0 HCADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCOC[C@H]2[C@@H]2CCCC2=O)c(F)c1 ZINC000462674219 1075482096 /nfs/dbraw/zinc/48/20/96/1075482096.db2.gz DQBGJOSEYAHOJV-JSGCOSHPSA-N -1 1 420.484 0.956 20 0 HCADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCOC[C@H]2[C@H]2CCCC2=O)c(F)c1 ZINC000462674220 1075482035 /nfs/dbraw/zinc/48/20/35/1075482035.db2.gz DQBGJOSEYAHOJV-OCCSQVGLSA-N -1 1 420.484 0.956 20 0 HCADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCOC[C@@H]2[C@H]2CCCC2=O)c(F)c1 ZINC000462674222 1075482157 /nfs/dbraw/zinc/48/21/57/1075482157.db2.gz DQBGJOSEYAHOJV-TZMCWYRMSA-N -1 1 420.484 0.956 20 0 HCADMM COC(=O)[C@@H](CC(F)(F)F)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000462681444 1075485192 /nfs/dbraw/zinc/48/51/92/1075485192.db2.gz LKEQBQCSPWYLLR-SECBINFHSA-N -1 1 422.378 0.970 20 0 HCADMM COC(=O)[C@H](CC(F)(F)F)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000462681446 1075485135 /nfs/dbraw/zinc/48/51/35/1075485135.db2.gz LKEQBQCSPWYLLR-VIFPVBQESA-N -1 1 422.378 0.970 20 0 HCADMM CNS(=O)(=O)c1ccc([C@@H](C)[N-]S(=O)(=O)c2scnc2C(=O)OC)cc1 ZINC000462689189 1075495051 /nfs/dbraw/zinc/49/50/51/1075495051.db2.gz DPDLKOZNMZMZOL-SECBINFHSA-N -1 1 419.506 0.877 20 0 HCADMM CNS(=O)(=O)c1ccc([C@H](C)[N-]S(=O)(=O)c2scnc2C(=O)OC)cc1 ZINC000462689191 1075494985 /nfs/dbraw/zinc/49/49/85/1075494985.db2.gz DPDLKOZNMZMZOL-VIFPVBQESA-N -1 1 419.506 0.877 20 0 HCADMM COC(=O)c1coc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)C(=O)N2CCOCC2)c1 ZINC000462689398 1075495000 /nfs/dbraw/zinc/49/50/00/1075495000.db2.gz OFJPEDJUASOREJ-INIZCTEOSA-N -1 1 422.459 0.815 20 0 HCADMM COC(=O)c1coc(S(=O)(=O)[N-][C@H](Cc2ccccc2)C(=O)N2CCOCC2)c1 ZINC000462689400 1075495011 /nfs/dbraw/zinc/49/50/11/1075495011.db2.gz OFJPEDJUASOREJ-MRXNPFEDSA-N -1 1 422.459 0.815 20 0 HCADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)C(=O)N2CCOCC2)o1 ZINC000462690688 1075488731 /nfs/dbraw/zinc/48/87/31/1075488731.db2.gz JAZIXCOERMSWEN-HNNXBMFYSA-N -1 1 422.459 0.815 20 0 HCADMM COC(=O)c1ccc(S(=O)(=O)[N-][C@H](Cc2ccccc2)C(=O)N2CCOCC2)o1 ZINC000462690690 1075488619 /nfs/dbraw/zinc/48/86/19/1075488619.db2.gz JAZIXCOERMSWEN-OAHLLOKOSA-N -1 1 422.459 0.815 20 0 HCADMM CNS(=O)(=O)c1cccc(C[N-]S(=O)(=O)c2scnc2C(=O)OC)c1 ZINC000462698506 1075492989 /nfs/dbraw/zinc/49/29/89/1075492989.db2.gz COTQUZXWYRMRRQ-UHFFFAOYSA-N -1 1 405.479 0.316 20 0 HCADMM COC(=O)c1ncsc1S(=O)(=O)[N-]Cc1cccnc1N1CCN(C)CC1 ZINC000462708513 1075499875 /nfs/dbraw/zinc/49/98/75/1075499875.db2.gz WQWHOGLPRYUTBL-UHFFFAOYSA-N -1 1 411.509 0.555 20 0 HCADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCN(Cc3ccon3)CC2)c(F)c1 ZINC000462729215 1075503511 /nfs/dbraw/zinc/50/35/11/1075503511.db2.gz ONRQVSUJDXWIKO-UHFFFAOYSA-N -1 1 418.472 0.692 20 0 HCADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)NCCS(=O)(=O)N(C)C)c2)n1 ZINC000462745451 1075510067 /nfs/dbraw/zinc/51/00/67/1075510067.db2.gz ZVFDXIMUHRKJTF-UHFFFAOYSA-N -1 1 424.483 0.339 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2cccc(N3CCCS3(=O)=O)c2)co1 ZINC000462803963 1075525754 /nfs/dbraw/zinc/52/57/54/1075525754.db2.gz BJCXHSVXTFXTQW-UHFFFAOYSA-N -1 1 413.477 0.658 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2cccc(N3CCCS3(=O)=O)c2)o1 ZINC000462806025 1075526186 /nfs/dbraw/zinc/52/61/86/1075526186.db2.gz OSRJOTHZUDTHFV-UHFFFAOYSA-N -1 1 413.477 0.658 20 0 HCADMM O=C(CNC(=O)c1ncccc1[O-])NCc1cccc(N2CCCS2(=O)=O)c1 ZINC000462824862 1075529497 /nfs/dbraw/zinc/52/94/97/1075529497.db2.gz ZRKIOJJAKDRGGM-UHFFFAOYSA-N -1 1 404.448 0.373 20 0 HCADMM CS(=O)(=O)Cc1noc(CS(=O)(=O)c2n[n-]c(CCC3CCCC3)n2)n1 ZINC000462954640 1075565032 /nfs/dbraw/zinc/56/50/32/1075565032.db2.gz BYRGHFYEROFVOA-UHFFFAOYSA-N -1 1 403.486 0.829 20 0 HCADMM COc1cc(NC(=O)C(=O)NCCCC(=O)OC(C)C)ccc1[N-]S(C)(=O)=O ZINC000462960308 1075571043 /nfs/dbraw/zinc/57/10/43/1075571043.db2.gz SRUMYEOGMMKMAV-UHFFFAOYSA-N -1 1 415.468 0.853 20 0 HCADMM COc1ccc(NC(=O)C(=O)NCCCC(=O)OC(C)C)cc1[N-]S(C)(=O)=O ZINC000462973827 1075570308 /nfs/dbraw/zinc/57/03/08/1075570308.db2.gz ZPVCZDBDUFGFFW-UHFFFAOYSA-N -1 1 415.468 0.853 20 0 HCADMM NC(=O)Cn1cc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)nn1 ZINC000463111393 1075600959 /nfs/dbraw/zinc/60/09/59/1075600959.db2.gz GIJBYSBKMLNKPH-UHFFFAOYSA-N -1 1 418.410 0.956 20 0 HCADMM O=C(CNC(=O)c1ncccc1[O-])N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000463120319 1075616206 /nfs/dbraw/zinc/61/62/06/1075616206.db2.gz OVBOEXNSFRKDIT-INIZCTEOSA-N -1 1 412.446 0.103 20 0 HCADMM O=C(CNC(=O)c1ncccc1[O-])N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000463120320 1075616081 /nfs/dbraw/zinc/61/60/81/1075616081.db2.gz OVBOEXNSFRKDIT-MRXNPFEDSA-N -1 1 412.446 0.103 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)o1 ZINC000463121588 1075617506 /nfs/dbraw/zinc/61/75/06/1075617506.db2.gz XPHCNNMWMZFZGH-HNNXBMFYSA-N -1 1 421.475 0.388 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)o1 ZINC000463121589 1075617663 /nfs/dbraw/zinc/61/76/63/1075617663.db2.gz XPHCNNMWMZFZGH-OAHLLOKOSA-N -1 1 421.475 0.388 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)co1 ZINC000463128000 1075611790 /nfs/dbraw/zinc/61/17/90/1075611790.db2.gz OZUSJLYSHAZSGK-INIZCTEOSA-N -1 1 421.475 0.388 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)co1 ZINC000463128001 1075611896 /nfs/dbraw/zinc/61/18/96/1075611896.db2.gz OZUSJLYSHAZSGK-MRXNPFEDSA-N -1 1 421.475 0.388 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)o1 ZINC000463214196 1075652234 /nfs/dbraw/zinc/65/22/34/1075652234.db2.gz KLGXVHXPNUOUEN-DZGCQCFKSA-N -1 1 407.448 0.693 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)o1 ZINC000463214228 1075651992 /nfs/dbraw/zinc/65/19/92/1075651992.db2.gz KLGXVHXPNUOUEN-HIFRSBDPSA-N -1 1 407.448 0.693 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)o1 ZINC000463214238 1075652128 /nfs/dbraw/zinc/65/21/28/1075652128.db2.gz KLGXVHXPNUOUEN-UKRRQHHQSA-N -1 1 407.448 0.693 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)o1 ZINC000463214249 1075652644 /nfs/dbraw/zinc/65/26/44/1075652644.db2.gz KLGXVHXPNUOUEN-ZFWWWQNUSA-N -1 1 407.448 0.693 20 0 HCADMM Cn1ncc2c1[n-]cc(C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c2=O ZINC000463215689 1075663781 /nfs/dbraw/zinc/66/37/81/1075663781.db2.gz QRWWDMKCLWGTOX-KRWDZBQOSA-N -1 1 409.446 0.874 20 0 HCADMM Cn1ncc2c1[n-]cc(C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)c2=O ZINC000463215690 1075663884 /nfs/dbraw/zinc/66/38/84/1075663884.db2.gz QRWWDMKCLWGTOX-QGZVFWFLSA-N -1 1 409.446 0.874 20 0 HCADMM NC(=O)Cn1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)nn1 ZINC000463361927 1075708819 /nfs/dbraw/zinc/70/88/19/1075708819.db2.gz OXHIWRNWVVGHLU-UHFFFAOYSA-N -1 1 400.420 0.817 20 0 HCADMM COc1cc(C(=O)NCCCCN2CCOCC2)cc([N-]S(C)(=O)=O)c1OC ZINC000463373301 1075714996 /nfs/dbraw/zinc/71/49/96/1075714996.db2.gz CHGBCYBCVDLANT-UHFFFAOYSA-N -1 1 415.512 0.918 20 0 HCADMM NC(=O)Cn1cc(C(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)nn1 ZINC000463375448 1075715845 /nfs/dbraw/zinc/71/58/45/1075715845.db2.gz HMFCIWSFGDXVDB-UHFFFAOYSA-N -1 1 400.420 0.817 20 0 HCADMM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2nccc(=O)n2C)c(OC)c1 ZINC000463381895 1075712268 /nfs/dbraw/zinc/71/22/68/1075712268.db2.gz OTDXXKBKFCLDBB-UHFFFAOYSA-N -1 1 402.454 0.351 20 0 HCADMM NC(=O)Cn1cc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)nn1 ZINC000463385535 1075714291 /nfs/dbraw/zinc/71/42/91/1075714291.db2.gz BYPFLPOJIFHTSS-UHFFFAOYSA-N -1 1 400.420 0.817 20 0 HCADMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])c1cnn2ncccc12 ZINC000463450397 1075745896 /nfs/dbraw/zinc/74/58/96/1075745896.db2.gz NIONWBSYSJTIMI-UHFFFAOYSA-N -1 1 403.420 0.708 20 0 HCADMM NC(=O)Cn1cc(C(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)nn1 ZINC000463558854 1075767818 /nfs/dbraw/zinc/76/78/18/1075767818.db2.gz IBAHYWDGOIXTMS-UHFFFAOYSA-N -1 1 414.447 0.494 20 0 HCADMM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000463691184 1075795942 /nfs/dbraw/zinc/79/59/42/1075795942.db2.gz PTBTVNOTTAIDQU-NXEZZACHSA-N -1 1 412.892 0.697 20 0 HCADMM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000463691185 1075795783 /nfs/dbraw/zinc/79/57/83/1075795783.db2.gz PTBTVNOTTAIDQU-UWVGGRQHSA-N -1 1 412.892 0.697 20 0 HCADMM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)C(=O)NC[C@H]1CCS(=O)(=O)C1 ZINC000463691186 1075795746 /nfs/dbraw/zinc/79/57/46/1075795746.db2.gz PTBTVNOTTAIDQU-VHSXEESVSA-N -1 1 412.892 0.697 20 0 HCADMM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)C(=O)NC[C@@H]1CCS(=O)(=O)C1 ZINC000463691187 1075795894 /nfs/dbraw/zinc/79/58/94/1075795894.db2.gz PTBTVNOTTAIDQU-ZJUUUORDSA-N -1 1 412.892 0.697 20 0 HCADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)C(=O)Nc3cn(C)nc3C3CC3)CC2)n1 ZINC000463768459 1075806288 /nfs/dbraw/zinc/80/62/88/1075806288.db2.gz LDTDKFHKVVOUCQ-UHFFFAOYSA-N -1 1 415.454 0.937 20 0 HCADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)Nc1cn(C)nc1C1CC1 ZINC000463831034 1075817753 /nfs/dbraw/zinc/81/77/53/1075817753.db2.gz PIACTVBMNFFDEQ-UHFFFAOYSA-N -1 1 400.486 0.868 20 0 HCADMM Cn1c(CNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)nnc1C1CC1 ZINC000463840040 1075823701 /nfs/dbraw/zinc/82/37/01/1075823701.db2.gz FKQYYUGQHPEMJN-UHFFFAOYSA-N -1 1 403.461 0.682 20 0 HCADMM COc1cc(NC(=O)C(=O)N2CC[C@@H](n3cccn3)C2)ccc1[N-]S(C)(=O)=O ZINC000463997998 1075847774 /nfs/dbraw/zinc/84/77/74/1075847774.db2.gz RWZWRUUEAORXQS-CYBMUJFWSA-N -1 1 407.452 0.675 20 0 HCADMM COc1cc(NC(=O)C(=O)N2CC[C@H](n3cccn3)C2)ccc1[N-]S(C)(=O)=O ZINC000463998000 1075847787 /nfs/dbraw/zinc/84/77/87/1075847787.db2.gz RWZWRUUEAORXQS-ZDUSSCGKSA-N -1 1 407.452 0.675 20 0 HCADMM COc1ccc(NC(=O)C(=O)N2CC[C@@H](n3cccn3)C2)cc1[N-]S(C)(=O)=O ZINC000463998772 1075847933 /nfs/dbraw/zinc/84/79/33/1075847933.db2.gz UJHMIPVZEGRIRL-CYBMUJFWSA-N -1 1 407.452 0.675 20 0 HCADMM COc1ccc(NC(=O)C(=O)N2CC[C@H](n3cccn3)C2)cc1[N-]S(C)(=O)=O ZINC000463998773 1075847981 /nfs/dbraw/zinc/84/79/81/1075847981.db2.gz UJHMIPVZEGRIRL-ZDUSSCGKSA-N -1 1 407.452 0.675 20 0 HCADMM COCC[C@@H]1COCCN1C(=O)C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000464006200 1075848688 /nfs/dbraw/zinc/84/86/88/1075848688.db2.gz NZTAOVLFEGGQEC-CYBMUJFWSA-N -1 1 415.468 0.269 20 0 HCADMM COCC[C@H]1COCCN1C(=O)C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000464006201 1075848650 /nfs/dbraw/zinc/84/86/50/1075848650.db2.gz NZTAOVLFEGGQEC-ZDUSSCGKSA-N -1 1 415.468 0.269 20 0 HCADMM COCC[C@@H]1COCCN1C(=O)C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000464011914 1075849917 /nfs/dbraw/zinc/84/99/17/1075849917.db2.gz BPJMPPOUHYQXMA-CYBMUJFWSA-N -1 1 415.468 0.269 20 0 HCADMM COCC[C@H]1COCCN1C(=O)C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000464011915 1075849865 /nfs/dbraw/zinc/84/98/65/1075849865.db2.gz BPJMPPOUHYQXMA-ZDUSSCGKSA-N -1 1 415.468 0.269 20 0 HCADMM Cc1cc(N2CC[C@H](NC(=O)CCc3c(C)nc4cc(=O)[n-]n4c3C)C2=O)n(C)n1 ZINC000464115296 1075867424 /nfs/dbraw/zinc/86/74/24/1075867424.db2.gz MFJQKELGPLNCAX-HNNXBMFYSA-N -1 1 411.466 0.948 20 0 HCADMM Cc1cc(N2CC[C@@H](NC(=O)CCc3c(C)nc4cc(=O)[n-]n4c3C)C2=O)n(C)n1 ZINC000464115297 1075867452 /nfs/dbraw/zinc/86/74/52/1075867452.db2.gz MFJQKELGPLNCAX-OAHLLOKOSA-N -1 1 411.466 0.948 20 0 HCADMM Cc1cc(N2CC[C@@H](NC(=O)c3ccc(S(=O)(=O)[N-]C(C)(C)C)o3)C2=O)n(C)n1 ZINC000464136871 1075867932 /nfs/dbraw/zinc/86/79/32/1075867932.db2.gz PWXAPEHXZSCEDP-GFCCVEGCSA-N -1 1 423.495 0.934 20 0 HCADMM Cc1cc(N2CC[C@H](NC(=O)c3ccc(S(=O)(=O)[N-]C(C)(C)C)o3)C2=O)n(C)n1 ZINC000464136874 1075867920 /nfs/dbraw/zinc/86/79/20/1075867920.db2.gz PWXAPEHXZSCEDP-LBPRGKRZSA-N -1 1 423.495 0.934 20 0 HCADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C(N)=O)c2ccc(F)cc2)c(F)c1 ZINC000464191562 1075875935 /nfs/dbraw/zinc/87/59/35/1075875935.db2.gz YVBXBKZTGKSSHS-AWEZNQCLSA-N -1 1 419.431 0.841 20 0 HCADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](C(N)=O)c2ccc(F)cc2)c(F)c1 ZINC000464191563 1075875907 /nfs/dbraw/zinc/87/59/07/1075875907.db2.gz YVBXBKZTGKSSHS-CQSZACIVSA-N -1 1 419.431 0.841 20 0 HCADMM COC(=O)C[C@@]1(NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CCOC1 ZINC000464212429 1075877960 /nfs/dbraw/zinc/87/79/60/1075877960.db2.gz YUQIMKBEODIOGT-AWEZNQCLSA-N -1 1 410.445 0.198 20 0 HCADMM COC(=O)C[C@]1(NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CCOC1 ZINC000464212431 1075878008 /nfs/dbraw/zinc/87/80/08/1075878008.db2.gz YUQIMKBEODIOGT-CQSZACIVSA-N -1 1 410.445 0.198 20 0 HCADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@H](C(N)=O)c1ccc(F)cc1 ZINC000464324377 1075889068 /nfs/dbraw/zinc/88/90/68/1075889068.db2.gz NRWSMHACDULKEV-KRWDZBQOSA-N -1 1 417.441 0.742 20 0 HCADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000464324378 1075889111 /nfs/dbraw/zinc/88/91/11/1075889111.db2.gz NRWSMHACDULKEV-QGZVFWFLSA-N -1 1 417.441 0.742 20 0 HCADMM CC1(C)CN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CCS1(=O)=O ZINC000465482763 1077807343 /nfs/dbraw/zinc/80/73/43/1077807343.db2.gz IQYJXQBGPBMVAX-UHFFFAOYSA-N -1 1 414.502 0.395 20 0 HCADMM CCOC(=O)c1sc([C@@H](C)[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)nc1C ZINC000465484808 1077813768 /nfs/dbraw/zinc/81/37/68/1077813768.db2.gz VTAWIZSNCAWNAB-SECBINFHSA-N -1 1 416.481 0.065 20 0 HCADMM CCOC(=O)c1sc([C@H](C)[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)nc1C ZINC000465484809 1077813813 /nfs/dbraw/zinc/81/38/13/1077813813.db2.gz VTAWIZSNCAWNAB-VIFPVBQESA-N -1 1 416.481 0.065 20 0 HCADMM COc1ccc(OC(F)F)c(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC000465490677 1077834781 /nfs/dbraw/zinc/83/47/81/1077834781.db2.gz HMWNBUWGSFXIFD-UHFFFAOYSA-N -1 1 405.379 0.173 20 0 HCADMM Cn1cc(S(=O)(=O)[N-]CCc2ccccc2OC(F)(F)F)c(=O)n(C)c1=O ZINC000465502652 1077896383 /nfs/dbraw/zinc/89/63/83/1077896383.db2.gz RKWWKMOMBGBUAA-UHFFFAOYSA-N -1 1 407.370 0.504 20 0 HCADMM CCOc1cccc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1OC(F)F ZINC000465504548 1077901553 /nfs/dbraw/zinc/90/15/53/1077901553.db2.gz XWCSLSSLEYOIIK-UHFFFAOYSA-N -1 1 419.406 0.563 20 0 HCADMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000466265324 1081049302 /nfs/dbraw/zinc/04/93/02/1081049302.db2.gz KRPFQFBBONAYLY-UHFFFAOYSA-N -1 1 408.436 0.549 20 0 HCADMM CN(c1ccccc1[N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1)S(C)(=O)=O ZINC000466266782 1081051456 /nfs/dbraw/zinc/05/14/56/1081051456.db2.gz XCSLXFGGVGDZEL-UHFFFAOYSA-N -1 1 408.465 0.859 20 0 HCADMM CN(c1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)S(C)(=O)=O ZINC000466288253 1081061717 /nfs/dbraw/zinc/06/17/17/1081061717.db2.gz NIQFAPURLIJUAY-UHFFFAOYSA-N -1 1 424.460 0.413 20 0 HCADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2N(C)S(C)(=O)=O)cc1C(N)=O ZINC000466291708 1081062581 /nfs/dbraw/zinc/06/25/81/1081062581.db2.gz ZFROAVABBLMVKL-UHFFFAOYSA-N -1 1 413.477 0.991 20 0 HCADMM COc1ccc(CN2CCCN(C(=O)CNC(=O)c3ncccc3[O-])CC2=O)cc1 ZINC000466398025 1081128353 /nfs/dbraw/zinc/12/83/53/1081128353.db2.gz WBYHKDNIDRFQSW-UHFFFAOYSA-N -1 1 412.446 0.787 20 0 HCADMM Cc1nc(-c2ccc(N3CCn4c(nn(CC(=O)N(C)C)c4=O)C3)nc2)[n-]c(=O)c1C ZINC000466447558 1081165128 /nfs/dbraw/zinc/16/51/28/1081165128.db2.gz BEANLRPEYNBDQI-UHFFFAOYSA-N -1 1 424.465 0.328 20 0 HCADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cccc(S(N)(=O)=O)c1)c1ccc(F)c(C)c1 ZINC000466530106 1081253232 /nfs/dbraw/zinc/25/32/32/1081253232.db2.gz MWZOIGFXHZQQRZ-HNNXBMFYSA-N -1 1 416.452 0.974 20 0 HCADMM COC(=O)[C@H]([N-]S(=O)(=O)c1cccc(S(N)(=O)=O)c1)c1ccc(F)c(C)c1 ZINC000466530113 1081253400 /nfs/dbraw/zinc/25/34/00/1081253400.db2.gz MWZOIGFXHZQQRZ-OAHLLOKOSA-N -1 1 416.452 0.974 20 0 HCADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC3(CNC(=O)C3)CC2)c(F)c1 ZINC000466910828 1077282634 /nfs/dbraw/zinc/28/26/34/1077282634.db2.gz JVNPCNQFSDBJMW-UHFFFAOYSA-N -1 1 405.473 0.488 20 0 HCADMM CCC[C@@H](NC(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O)c1nn[n-]n1 ZINC000467633230 1077956926 /nfs/dbraw/zinc/95/69/26/1077956926.db2.gz NMVPTFIGNRCYEQ-CYBMUJFWSA-N -1 1 411.488 0.050 20 0 HCADMM CCC[C@H](NC(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O)c1nn[n-]n1 ZINC000467633231 1077956836 /nfs/dbraw/zinc/95/68/36/1077956836.db2.gz NMVPTFIGNRCYEQ-ZDUSSCGKSA-N -1 1 411.488 0.050 20 0 HCADMM CCC[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1)c1nn[n-]n1 ZINC000467635626 1078080546 /nfs/dbraw/zinc/08/05/46/1078080546.db2.gz FYDAYWNSRZFADW-AWEZNQCLSA-N -1 1 409.472 0.436 20 0 HCADMM CCC[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1)c1nn[n-]n1 ZINC000467635627 1078080380 /nfs/dbraw/zinc/08/03/80/1078080380.db2.gz FYDAYWNSRZFADW-CQSZACIVSA-N -1 1 409.472 0.436 20 0 HCADMM CS(=O)(=O)Cc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000470447237 1077793212 /nfs/dbraw/zinc/79/32/12/1077793212.db2.gz YJJPFJLBLXXUST-UHFFFAOYSA-N -1 1 422.481 0.819 20 0 HCADMM COc1ccc(NC(=O)N(CCO)CCN2CCOCC2)cc1[N-]S(C)(=O)=O ZINC000470593615 1077912805 /nfs/dbraw/zinc/91/28/05/1077912805.db2.gz CSWZNLQVTRCRHB-UHFFFAOYSA-N -1 1 416.500 0.225 20 0 HCADMM CCn1cc(S(=O)(=O)Nc2cccc(N3C(=O)COCC3=O)c2)cc1C(=O)[O-] ZINC000475838931 1080403411 /nfs/dbraw/zinc/40/34/11/1080403411.db2.gz ZFCVKZFOUZIFIE-UHFFFAOYSA-N -1 1 407.404 0.897 20 0 HCADMM C[C@](CO)(CNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)Cc1ccccc1 ZINC000481127967 1081250347 /nfs/dbraw/zinc/25/03/47/1081250347.db2.gz ZPMJZIIMYGLUTM-GOSISDBHSA-N -1 1 409.464 0.014 20 0 HCADMM C[C@@](CO)(CNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)Cc1ccccc1 ZINC000481127968 1081249960 /nfs/dbraw/zinc/24/99/60/1081249960.db2.gz ZPMJZIIMYGLUTM-SFHVURJKSA-N -1 1 409.464 0.014 20 0 HCADMM COCCc1ccnc(NC(=O)NCC[N-]S(=O)(=O)c2sc(=O)[nH]c2C)c1 ZINC000489828793 1073544562 /nfs/dbraw/zinc/54/45/62/1073544562.db2.gz QSRQUSJENZEJGP-UHFFFAOYSA-N -1 1 415.497 0.841 20 0 HCADMM COC(=O)c1ccsc1N1CC[C@@H](NC(=O)CNC(=O)c2ncccc2[O-])C1=O ZINC000491208647 1074172497 /nfs/dbraw/zinc/17/24/97/1074172497.db2.gz SWNHFJNZGBULGW-LLVKDONJSA-N -1 1 418.431 0.287 20 0 HCADMM COC(=O)c1ccsc1N1CC[C@H](NC(=O)CNC(=O)c2ncccc2[O-])C1=O ZINC000491208648 1074172549 /nfs/dbraw/zinc/17/25/49/1074172549.db2.gz SWNHFJNZGBULGW-NSHDSACASA-N -1 1 418.431 0.287 20 0 HCADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1c2ccccc2C[C@H]1C(N)=O ZINC000491533155 1077239073 /nfs/dbraw/zinc/23/90/73/1077239073.db2.gz XMURAELSFNTCMD-KRWDZBQOSA-N -1 1 411.462 0.703 20 0 HCADMM CC(C)[C@H]([N-]S(=O)(=O)c1cnn(CC(F)F)c1)c1nc(-c2nc[nH]n2)no1 ZINC000491600045 1077254051 /nfs/dbraw/zinc/25/40/51/1077254051.db2.gz YCSNHWQHCIZSQG-JTQLQIEISA-N -1 1 402.387 0.992 20 0 HCADMM CC(C)[C@@H]([N-]S(=O)(=O)c1cnn(CC(F)F)c1)c1nc(-c2nc[nH]n2)no1 ZINC000491600046 1077254134 /nfs/dbraw/zinc/25/41/34/1077254134.db2.gz YCSNHWQHCIZSQG-SNVBAGLBSA-N -1 1 402.387 0.992 20 0 HCADMM CCOc1ccnc(N2CCCN(C(=O)CNC(=O)c3ncccc3[O-])CC2)n1 ZINC000492034260 1077275053 /nfs/dbraw/zinc/27/50/53/1077275053.db2.gz OXOLPTYNYHGCRP-UHFFFAOYSA-N -1 1 400.439 0.445 20 0 HCADMM Cc1oc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)cc1S(=O)(=O)N1CCCC1 ZINC000492195055 1077281520 /nfs/dbraw/zinc/28/15/20/1077281520.db2.gz IEVRRVUPBCYZOQ-UHFFFAOYSA-N -1 1 403.442 0.146 20 0 HCADMM Cc1oc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cc1S(=O)(=O)N1CCCC1 ZINC000492195055 1077281510 /nfs/dbraw/zinc/28/15/10/1077281510.db2.gz IEVRRVUPBCYZOQ-UHFFFAOYSA-N -1 1 403.442 0.146 20 0 HCADMM CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1 ZINC000492195626 1077281387 /nfs/dbraw/zinc/28/13/87/1077281387.db2.gz KILMALYSKVNQHI-VIFPVBQESA-N -1 1 401.470 0.537 20 0 HCADMM CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)cc1 ZINC000492195626 1077281379 /nfs/dbraw/zinc/28/13/79/1077281379.db2.gz KILMALYSKVNQHI-VIFPVBQESA-N -1 1 401.470 0.537 20 0 HCADMM CS(=O)(=O)c1nnc(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)[n-]1 ZINC000492196123 1077281417 /nfs/dbraw/zinc/28/14/17/1077281417.db2.gz MSFIQZXWRNONLS-UHFFFAOYSA-N -1 1 422.492 0.887 20 0 HCADMM CS(=O)(=O)c1n[n-]c(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)n1 ZINC000492196123 1077281408 /nfs/dbraw/zinc/28/14/08/1077281408.db2.gz MSFIQZXWRNONLS-UHFFFAOYSA-N -1 1 422.492 0.887 20 0 HCADMM CS(=O)(=O)c1nnc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)[n-]1 ZINC000492196224 1077281295 /nfs/dbraw/zinc/28/12/95/1077281295.db2.gz MXUVBYHAFQXQNA-UHFFFAOYSA-N -1 1 413.481 0.248 20 0 HCADMM CS(=O)(=O)c1n[n-]c(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)n1 ZINC000492196224 1077281285 /nfs/dbraw/zinc/28/12/85/1077281285.db2.gz MXUVBYHAFQXQNA-UHFFFAOYSA-N -1 1 413.481 0.248 20 0 HCADMM CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1 ZINC000492196752 1077280386 /nfs/dbraw/zinc/28/03/86/1077280386.db2.gz OUTHFZNZLLTVQO-UHFFFAOYSA-N -1 1 401.470 0.537 20 0 HCADMM CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)cc1 ZINC000492196752 1077280383 /nfs/dbraw/zinc/28/03/83/1077280383.db2.gz OUTHFZNZLLTVQO-UHFFFAOYSA-N -1 1 401.470 0.537 20 0 HCADMM Cc1occc1C(=O)Nc1nc(CC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cs1 ZINC000492197360 1077280408 /nfs/dbraw/zinc/28/04/08/1077280408.db2.gz QVZSDCDSJIIHHY-UHFFFAOYSA-N -1 1 410.437 1.000 20 0 HCADMM Cc1occc1C(=O)Nc1nc(CC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cs1 ZINC000492197360 1077280402 /nfs/dbraw/zinc/28/04/02/1077280402.db2.gz QVZSDCDSJIIHHY-UHFFFAOYSA-N -1 1 410.437 1.000 20 0 HCADMM Cc1ccc(C)c(S(=O)(=O)NCCC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c1 ZINC000492198036 1077280743 /nfs/dbraw/zinc/28/07/43/1077280743.db2.gz UXMLZFRGTMCCLV-UHFFFAOYSA-N -1 1 401.470 0.132 20 0 HCADMM Cc1ccc(C)c(S(=O)(=O)NCCC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c1 ZINC000492198036 1077280736 /nfs/dbraw/zinc/28/07/36/1077280736.db2.gz UXMLZFRGTMCCLV-UHFFFAOYSA-N -1 1 401.470 0.132 20 0 HCADMM CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)ccc1C ZINC000492207667 1077281814 /nfs/dbraw/zinc/28/18/14/1077281814.db2.gz GHRVDIMDOSCROO-UHFFFAOYSA-N -1 1 415.497 0.799 20 0 HCADMM CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)ccc1C ZINC000492207667 1077281807 /nfs/dbraw/zinc/28/18/07/1077281807.db2.gz GHRVDIMDOSCROO-UHFFFAOYSA-N -1 1 415.497 0.799 20 0 HCADMM COc1ccc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cc1S(=O)(=O)NC(C)C ZINC000492212090 1077282044 /nfs/dbraw/zinc/28/20/44/1077282044.db2.gz XXYJXLONMIENQT-UHFFFAOYSA-N -1 1 417.469 0.156 20 0 HCADMM COc1ccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1S(=O)(=O)NC(C)C ZINC000492212090 1077282038 /nfs/dbraw/zinc/28/20/38/1077282038.db2.gz XXYJXLONMIENQT-UHFFFAOYSA-N -1 1 417.469 0.156 20 0 HCADMM CS(=O)(=O)c1nnc(NC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)[n-]1 ZINC000492224765 1077282497 /nfs/dbraw/zinc/28/24/97/1077282497.db2.gz OEINYAJKRIFACY-JTQLQIEISA-N -1 1 419.419 0.236 20 0 HCADMM CS(=O)(=O)c1n[n-]c(NC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)n1 ZINC000492224765 1077282488 /nfs/dbraw/zinc/28/24/88/1077282488.db2.gz OEINYAJKRIFACY-JTQLQIEISA-N -1 1 419.419 0.236 20 0 HCADMM CS(=O)(=O)c1nnc(NC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)[n-]1 ZINC000492224766 1077282452 /nfs/dbraw/zinc/28/24/52/1077282452.db2.gz OEINYAJKRIFACY-SNVBAGLBSA-N -1 1 419.419 0.236 20 0 HCADMM CS(=O)(=O)c1n[n-]c(NC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)n1 ZINC000492224766 1077282446 /nfs/dbraw/zinc/28/24/46/1077282446.db2.gz OEINYAJKRIFACY-SNVBAGLBSA-N -1 1 419.419 0.236 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@H](O)C3(CC3)C2)c(OC)c1 ZINC000492353362 1077288915 /nfs/dbraw/zinc/28/89/15/1077288915.db2.gz CFIDZOYMMMUMRH-HNNXBMFYSA-N -1 1 404.510 0.992 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H](O)C3(CC3)C2)c(OC)c1 ZINC000492353364 1077288973 /nfs/dbraw/zinc/28/89/73/1077288973.db2.gz CFIDZOYMMMUMRH-OAHLLOKOSA-N -1 1 404.510 0.992 20 0 HCADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC(Cn3cncn3)CC2)c(F)c1 ZINC000492372461 1077290504 /nfs/dbraw/zinc/29/05/04/1077290504.db2.gz CIWYYDVIIJBSBI-UHFFFAOYSA-N -1 1 417.488 0.890 20 0 HCADMM CCN1CCN(C(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)C(C)(C)C1=O ZINC000492416209 1077291734 /nfs/dbraw/zinc/29/17/34/1077291734.db2.gz JJBDXQNYDCZDJM-UHFFFAOYSA-N -1 1 405.499 0.729 20 0 HCADMM CS(=O)(=O)c1nnc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)[n-]1 ZINC000492422821 1077292234 /nfs/dbraw/zinc/29/22/34/1077292234.db2.gz KQGKKWQMUVAKJE-UHFFFAOYSA-N -1 1 413.406 0.977 20 0 HCADMM CS(=O)(=O)c1n[n-]c(NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)n1 ZINC000492422821 1077292225 /nfs/dbraw/zinc/29/22/25/1077292225.db2.gz KQGKKWQMUVAKJE-UHFFFAOYSA-N -1 1 413.406 0.977 20 0 HCADMM CS(=O)(=O)c1nnc(NC(=O)CNC(=O)c2cccc(Br)c2)[n-]1 ZINC000492439859 1077292641 /nfs/dbraw/zinc/29/26/41/1077292641.db2.gz AHKDLBVFRBMZHL-UHFFFAOYSA-N -1 1 402.230 0.339 20 0 HCADMM CS(=O)(=O)c1n[n-]c(NC(=O)CNC(=O)c2cccc(Br)c2)n1 ZINC000492439859 1077292633 /nfs/dbraw/zinc/29/26/33/1077292633.db2.gz AHKDLBVFRBMZHL-UHFFFAOYSA-N -1 1 402.230 0.339 20 0 HCADMM CS(=O)(=O)c1nnc(NC(=O)C2CCN(C(=O)COc3ccccc3)CC2)[n-]1 ZINC000492441726 1077292684 /nfs/dbraw/zinc/29/26/84/1077292684.db2.gz DXMATLRGJMMSLA-UHFFFAOYSA-N -1 1 407.452 0.464 20 0 HCADMM CS(=O)(=O)c1n[n-]c(NC(=O)C2CCN(C(=O)COc3ccccc3)CC2)n1 ZINC000492441726 1077292680 /nfs/dbraw/zinc/29/26/80/1077292680.db2.gz DXMATLRGJMMSLA-UHFFFAOYSA-N -1 1 407.452 0.464 20 0 HCADMM CN(C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)[C@H](c1ncc[nH]1)c1ccccc1 ZINC000492539037 1077297462 /nfs/dbraw/zinc/29/74/62/1077297462.db2.gz MOMNWYHBKIYGDH-INIZCTEOSA-N -1 1 417.447 0.628 20 0 HCADMM CN(C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000492539038 1077297672 /nfs/dbraw/zinc/29/76/72/1077297672.db2.gz MOMNWYHBKIYGDH-MRXNPFEDSA-N -1 1 417.447 0.628 20 0 HCADMM COc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCC(N)=O)cc2)ccc1NC(C)=O ZINC000492539704 1077297718 /nfs/dbraw/zinc/29/77/18/1077297718.db2.gz NUEGFJXFFWGDCY-UHFFFAOYSA-N -1 1 420.447 0.670 20 0 HCADMM CN1c2ccc(S(=O)(=O)[N-]c3ccc(C(=O)NCC(N)=O)cc3)cc2CC1=O ZINC000492558302 1077298208 /nfs/dbraw/zinc/29/82/08/1077298208.db2.gz MSPSFCAPVAQPSB-UHFFFAOYSA-N -1 1 402.432 0.221 20 0 HCADMM NC(=O)CNC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)cc1 ZINC000492583171 1077299606 /nfs/dbraw/zinc/29/96/06/1077299606.db2.gz ZIMKGOOFLHWUBJ-UHFFFAOYSA-N -1 1 416.459 0.595 20 0 HCADMM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)NCC(N)=O)cc1 ZINC000492601302 1077300826 /nfs/dbraw/zinc/30/08/26/1077300826.db2.gz KXTMRMFYQKZYHS-UHFFFAOYSA-N -1 1 421.431 0.338 20 0 HCADMM O=C(CNC(=O)c1ncccc1[O-])N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000492706491 1077308169 /nfs/dbraw/zinc/30/81/69/1077308169.db2.gz AEFGVELVHQEJKU-CYBMUJFWSA-N -1 1 424.413 0.041 20 0 HCADMM O=C(CNC(=O)c1ncccc1[O-])N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 ZINC000492706492 1077308238 /nfs/dbraw/zinc/30/82/38/1077308238.db2.gz AEFGVELVHQEJKU-ZDUSSCGKSA-N -1 1 424.413 0.041 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(CNC(=O)c3ccccn3)CC2)co1 ZINC000492713448 1077308705 /nfs/dbraw/zinc/30/87/05/1077308705.db2.gz YFLPOLNQWXSOFI-UHFFFAOYSA-N -1 1 406.464 0.865 20 0 HCADMM CN(C)c1cccc(S(=O)(=O)[N-]c2ccnc(C(=O)N3CCN(C)CC3)c2)c1 ZINC000493131478 1077327053 /nfs/dbraw/zinc/32/70/53/1077327053.db2.gz JZXQIAMNNNWHLF-UHFFFAOYSA-N -1 1 403.508 0.758 20 0 HCADMM Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cc1 ZINC000493319447 1077340449 /nfs/dbraw/zinc/34/04/49/1077340449.db2.gz JZHKNEICHDCPGP-LBPRGKRZSA-N -1 1 413.481 0.308 20 0 HCADMM Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc1 ZINC000493319447 1077340442 /nfs/dbraw/zinc/34/04/42/1077340442.db2.gz JZHKNEICHDCPGP-LBPRGKRZSA-N -1 1 413.481 0.308 20 0 HCADMM Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)Nc1nnc(S(C)(=O)=O)[n-]1 ZINC000493344228 1077342650 /nfs/dbraw/zinc/34/26/50/1077342650.db2.gz MJUSMBMGTFKONC-UHFFFAOYSA-N -1 1 414.451 0.987 20 0 HCADMM Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)Nc1nc(S(C)(=O)=O)n[n-]1 ZINC000493344228 1077342644 /nfs/dbraw/zinc/34/26/44/1077342644.db2.gz MJUSMBMGTFKONC-UHFFFAOYSA-N -1 1 414.451 0.987 20 0 HCADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@@H](c1ccccc1)N1CCOCC1 ZINC000493381567 1077344378 /nfs/dbraw/zinc/34/43/78/1077344378.db2.gz CCSQJECZNFJLLN-INIZCTEOSA-N -1 1 408.480 0.938 20 0 HCADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@H](c1ccccc1)N1CCOCC1 ZINC000493381570 1077344483 /nfs/dbraw/zinc/34/44/83/1077344483.db2.gz CCSQJECZNFJLLN-MRXNPFEDSA-N -1 1 408.480 0.938 20 0 HCADMM Cc1cc(S(=O)(=O)NCCNC(=O)CNC(=O)c2ncccc2[O-])c(C)s1 ZINC000493463353 1077349357 /nfs/dbraw/zinc/34/93/57/1077349357.db2.gz UINLUEKXRIVIOT-UHFFFAOYSA-N -1 1 412.493 0.290 20 0 HCADMM COc1cc(Br)ccc1C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000493635682 1077358953 /nfs/dbraw/zinc/35/89/53/1077358953.db2.gz OSONZBCCFOCVBR-UHFFFAOYSA-N -1 1 418.269 0.334 20 0 HCADMM Cc1nnc(CNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)n1C1CC1 ZINC000493738750 1077363713 /nfs/dbraw/zinc/36/37/13/1077363713.db2.gz PXUWUIRKDYALRI-UHFFFAOYSA-N -1 1 403.461 0.911 20 0 HCADMM COc1cccc(OCCN2CCN(C(=O)CNC(=O)c3ncccc3[O-])CC2)c1 ZINC000493921151 1077380516 /nfs/dbraw/zinc/38/05/16/1077380516.db2.gz VAEFJBIFLPKBNL-UHFFFAOYSA-N -1 1 414.462 0.749 20 0 HCADMM O=C(CNC(=O)c1ncccc1[O-])NC[C@@H](O)COc1ccccc1Br ZINC000493946429 1077380326 /nfs/dbraw/zinc/38/03/26/1077380326.db2.gz BIDSMHQXPRCRQY-LLVKDONJSA-N -1 1 424.251 0.836 20 0 HCADMM O=C(CNC(=O)c1ncccc1[O-])NC[C@H](O)COc1ccccc1Br ZINC000493946430 1077380345 /nfs/dbraw/zinc/38/03/45/1077380345.db2.gz BIDSMHQXPRCRQY-NSHDSACASA-N -1 1 424.251 0.836 20 0 HCADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CN2CCCS2(=O)=O)c1 ZINC000494110750 1077402107 /nfs/dbraw/zinc/40/21/07/1077402107.db2.gz VUTZTXUOYMMICY-UHFFFAOYSA-N -1 1 405.498 0.397 20 0 HCADMM NC(=O)c1coc(C[N-]S(=O)(=O)c2ccccc2S(=O)(=O)N2CCCC2)c1 ZINC000494278103 1077477693 /nfs/dbraw/zinc/47/76/93/1077477693.db2.gz XCDFOFYUFCMLNO-UHFFFAOYSA-N -1 1 413.477 0.642 20 0 HCADMM CC(C)CN1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC1=O ZINC000494278919 1077477651 /nfs/dbraw/zinc/47/76/51/1077477651.db2.gz FMWVSBBUDKJAQC-UHFFFAOYSA-N -1 1 407.489 0.686 20 0 HCADMM CCN1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)C(C)(C)C1=O ZINC000494294726 1077492337 /nfs/dbraw/zinc/49/23/37/1077492337.db2.gz BYWQDHSOYZWVGK-UHFFFAOYSA-N -1 1 407.489 0.829 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCN(C)C(=O)[C@H]2C)c(OC)c1 ZINC000494326764 1077508939 /nfs/dbraw/zinc/50/89/39/1077508939.db2.gz AJGMAWQZBAVJKS-GFCCVEGCSA-N -1 1 419.525 0.698 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCN(C)C(=O)[C@@H]2C)c(OC)c1 ZINC000494326772 1077509085 /nfs/dbraw/zinc/50/90/85/1077509085.db2.gz AJGMAWQZBAVJKS-LBPRGKRZSA-N -1 1 419.525 0.698 20 0 HCADMM CS(=O)(=O)N1CC(C[N-]S(=O)(=O)c2cc(Br)c(F)cc2F)C1 ZINC000494333829 1077499688 /nfs/dbraw/zinc/49/96/88/1077499688.db2.gz TXZGYTYCKIXSBH-UHFFFAOYSA-N -1 1 419.269 0.897 20 0 HCADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)c1cnn(-c2ccccn2)c1N ZINC000494377152 1077522812 /nfs/dbraw/zinc/52/28/12/1077522812.db2.gz BVAFSYJNLJTJHK-UHFFFAOYSA-N -1 1 423.480 0.028 20 0 HCADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC(O)(C(F)F)CC2)c(F)c1 ZINC000494377742 1077521826 /nfs/dbraw/zinc/52/18/26/1077521826.db2.gz NVKYALZRMOJLEC-UHFFFAOYSA-N -1 1 402.416 0.978 20 0 HCADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)c1cc(Cn2cccn2)on1 ZINC000494379145 1077523183 /nfs/dbraw/zinc/52/31/83/1077523183.db2.gz TYMYQUFTBGSFBD-UHFFFAOYSA-N -1 1 412.453 0.098 20 0 HCADMM CCOC(=O)c1ccc(C(=O)NCC[N-]S(=O)(=O)c2sc(=O)[nH]c2C)nc1 ZINC000494379332 1077523202 /nfs/dbraw/zinc/52/32/02/1077523202.db2.gz VRBIUTVZXDXNRT-UHFFFAOYSA-N -1 1 414.465 0.437 20 0 HCADMM CCn1nc(C)c(CC(=O)NCC[N-]S(=O)(=O)c2sc(=O)[nH]c2C)c1C ZINC000494396045 1077527370 /nfs/dbraw/zinc/52/73/70/1077527370.db2.gz JRUWCCXZJTXALS-UHFFFAOYSA-N -1 1 401.514 0.628 20 0 HCADMM COC(=O)c1coc(S(=O)(=O)[N-]C2CCN(S(=O)(=O)C(C)(C)C)CC2)c1 ZINC000494399358 1077528183 /nfs/dbraw/zinc/52/81/83/1077528183.db2.gz TVAQWOLIMLOUGX-UHFFFAOYSA-N -1 1 408.498 0.937 20 0 HCADMM COC(=O)c1ccc(S(=O)(=O)[N-]C2CCN(S(=O)(=O)C(C)(C)C)CC2)o1 ZINC000494407791 1077530423 /nfs/dbraw/zinc/53/04/23/1077530423.db2.gz VDGWKPIHOXWWDH-UHFFFAOYSA-N -1 1 408.498 0.937 20 0 HCADMM COCCOCCS(=O)(=O)[N-]c1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000494490809 1077549084 /nfs/dbraw/zinc/54/90/84/1077549084.db2.gz BLGDDYSUGUNNKK-UHFFFAOYSA-N -1 1 405.498 0.562 20 0 HCADMM COCCOCCS(=O)(=O)[N-]c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000494500873 1077549933 /nfs/dbraw/zinc/54/99/33/1077549933.db2.gz GKGHLQZMHJVNDI-UHFFFAOYSA-N -1 1 408.498 0.112 20 0 HCADMM CCNc1ccc(S(=O)(=O)N(C)C)cc1[N-]S(=O)(=O)CCOCCOC ZINC000494507832 1077545843 /nfs/dbraw/zinc/54/58/43/1077545843.db2.gz HTYMPNREJVLWFF-UHFFFAOYSA-N -1 1 409.530 0.773 20 0 HCADMM CN(C)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000494536764 1077554045 /nfs/dbraw/zinc/55/40/45/1077554045.db2.gz NAPULHJLEJZARC-UHFFFAOYSA-N -1 1 424.504 0.928 20 0 HCADMM COC(=O)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)cc1 ZINC000494552625 1077560720 /nfs/dbraw/zinc/56/07/20/1077560720.db2.gz LQPVENNSROLQLA-UHFFFAOYSA-N -1 1 416.419 0.366 20 0 HCADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(OCC(=O)OC)c2)c1 ZINC000494554417 1077560669 /nfs/dbraw/zinc/56/06/69/1077560669.db2.gz SGPFZJWBFJGHSZ-UHFFFAOYSA-N -1 1 414.461 0.947 20 0 HCADMM CC[C@@H]1C(=O)N(CC)CCN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000494558801 1077557263 /nfs/dbraw/zinc/55/72/63/1077557263.db2.gz GYBTVRMSICPUJT-CYBMUJFWSA-N -1 1 407.489 0.829 20 0 HCADMM CC[C@H]1C(=O)N(CC)CCN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000494558802 1077557399 /nfs/dbraw/zinc/55/73/99/1077557399.db2.gz GYBTVRMSICPUJT-ZDUSSCGKSA-N -1 1 407.489 0.829 20 0 HCADMM COc1ccc(NS(=O)(=O)c2ccc(-n3cnnn3)cc2)cc1[N-]S(C)(=O)=O ZINC000494568494 1077558822 /nfs/dbraw/zinc/55/88/22/1077558822.db2.gz AHHFMUXVPFSVAF-UHFFFAOYSA-N -1 1 424.464 0.843 20 0 HCADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(NS(C)(=O)=O)c2)c1 ZINC000494588489 1077561046 /nfs/dbraw/zinc/56/10/46/1077561046.db2.gz WZKPABJDRUBJJR-UHFFFAOYSA-N -1 1 419.506 0.767 20 0 HCADMM CN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)cc1 ZINC000494616327 1077571349 /nfs/dbraw/zinc/57/13/49/1077571349.db2.gz MRYHFSPUCQXYQV-UHFFFAOYSA-N -1 1 408.465 0.713 20 0 HCADMM O=C(c1ccc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)cc1)N1CCOCC1 ZINC000494661842 1077579728 /nfs/dbraw/zinc/57/97/28/1077579728.db2.gz AJVMHQMHXQIQKQ-UHFFFAOYSA-N -1 1 414.447 0.936 20 0 HCADMM O=C(NCCO)c1ccc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)cc1Cl ZINC000494662016 1077579452 /nfs/dbraw/zinc/57/94/52/1077579452.db2.gz BGOPZYOCLAUZIE-UHFFFAOYSA-N -1 1 422.854 0.839 20 0 HCADMM O=S(=O)([N-]c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000494664654 1077580776 /nfs/dbraw/zinc/58/07/76/1077580776.db2.gz KMABAFGNQVJDDP-UHFFFAOYSA-N -1 1 420.476 0.904 20 0 HCADMM COC(=O)Cc1c(C(=O)OC)sc2[n-]c(CN3C[C@H](O)C4(CC4)C3)nc(=O)c12 ZINC000494671253 1077582974 /nfs/dbraw/zinc/58/29/74/1077582974.db2.gz CKZCKLBMPUOZKM-JTQLQIEISA-N -1 1 407.448 0.443 20 0 HCADMM COC(=O)Cc1c(C(=O)OC)sc2[n-]c(CN3C[C@@H](O)C4(CC4)C3)nc(=O)c12 ZINC000494671254 1077583015 /nfs/dbraw/zinc/58/30/15/1077583015.db2.gz CKZCKLBMPUOZKM-SNVBAGLBSA-N -1 1 407.448 0.443 20 0 HCADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000494679611 1077584846 /nfs/dbraw/zinc/58/48/46/1077584846.db2.gz JEVZBQJQYLMZEB-UHFFFAOYSA-N -1 1 410.477 0.586 20 0 HCADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CCN(CC(C)C)C(=O)C1 ZINC000494721536 1077595634 /nfs/dbraw/zinc/59/56/34/1077595634.db2.gz UWGSDHORALSJLM-UHFFFAOYSA-N -1 1 405.499 0.587 20 0 HCADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CCN(CC(C)C)C(=O)[C@@H]1C ZINC000494755328 1077613446 /nfs/dbraw/zinc/61/34/46/1077613446.db2.gz GSUDPBHGNAZNTL-INIZCTEOSA-N -1 1 419.526 0.975 20 0 HCADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CCN(CC(C)C)C(=O)[C@H]1C ZINC000494755329 1077613377 /nfs/dbraw/zinc/61/33/77/1077613377.db2.gz GSUDPBHGNAZNTL-MRXNPFEDSA-N -1 1 419.526 0.975 20 0 HCADMM Cc1cnc(C(=O)N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)c([O-])c1 ZINC000494884843 1077666522 /nfs/dbraw/zinc/66/65/22/1077666522.db2.gz CAZVTTCLQGHJRX-UHFFFAOYSA-N -1 1 417.447 0.824 20 0 HCADMM Cc1cnc(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c([O-])c1 ZINC000495034750 1077710221 /nfs/dbraw/zinc/71/02/21/1077710221.db2.gz FPLJSVHYLNGNEP-UHFFFAOYSA-N -1 1 405.480 0.372 20 0 HCADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000495092424 1077735051 /nfs/dbraw/zinc/73/50/51/1077735051.db2.gz HNAVUFJBGBLUNG-LLVKDONJSA-N -1 1 403.530 0.603 20 0 HCADMM CSc1nc(=O)[n-]c(C)c1C(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000495092425 1077735214 /nfs/dbraw/zinc/73/52/14/1077735214.db2.gz HNAVUFJBGBLUNG-NSHDSACASA-N -1 1 403.530 0.603 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)NC2CCN(S(=O)(=O)C(C)(C)C)CC2)co1 ZINC000495118581 1077740814 /nfs/dbraw/zinc/74/08/14/1077740814.db2.gz CGILRULNNSXIMU-UHFFFAOYSA-N -1 1 407.514 0.510 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC2CCN(S(=O)(=O)C(C)(C)C)CC2)o1 ZINC000495148947 1077744747 /nfs/dbraw/zinc/74/47/47/1077744747.db2.gz VNDGLSVFTXNNCS-UHFFFAOYSA-N -1 1 407.514 0.510 20 0 HCADMM CC[C@@]1(O)CCN(Cc2nc(=O)c3c(CC(=O)OC)c(C(=O)OC)sc3[n-]2)C1 ZINC000495200650 1077756669 /nfs/dbraw/zinc/75/66/69/1077756669.db2.gz IDWSXVHZGIQEFT-GOSISDBHSA-N -1 1 409.464 0.834 20 0 HCADMM CC[C@]1(O)CCN(Cc2nc(=O)c3c(CC(=O)OC)c(C(=O)OC)sc3[n-]2)C1 ZINC000495200661 1077756726 /nfs/dbraw/zinc/75/67/26/1077756726.db2.gz IDWSXVHZGIQEFT-SFHVURJKSA-N -1 1 409.464 0.834 20 0 HCADMM O=C(CNC(=O)c1ncccc1[O-])NCCNS(=O)(=O)c1ccc(Cl)s1 ZINC000495325233 1077809546 /nfs/dbraw/zinc/80/95/46/1077809546.db2.gz IXFBKJLJMCPIAI-UHFFFAOYSA-N -1 1 418.884 0.327 20 0 HCADMM CCOC(=O)C(=C([O-])Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1nc(C)cs1 ZINC000495369906 1077822779 /nfs/dbraw/zinc/82/27/79/1077822779.db2.gz XTQPGTUKLVWZBW-LLVKDONJSA-N -1 1 405.436 0.115 20 0 HCADMM CCOC(=O)C(=C([O-])Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1nc(C)cs1 ZINC000495369907 1077822739 /nfs/dbraw/zinc/82/27/39/1077822739.db2.gz XTQPGTUKLVWZBW-NSHDSACASA-N -1 1 405.436 0.115 20 0 HCADMM COC(=O)[C@H](CNC(=O)CNC(=O)c1ncccc1[O-])Cc1ccccc1OC ZINC000495428436 1077831111 /nfs/dbraw/zinc/83/11/11/1077831111.db2.gz ZGFWZDCVDCNUII-AWEZNQCLSA-N -1 1 401.419 0.674 20 0 HCADMM COC(=O)[C@@H](CNC(=O)CNC(=O)c1ncccc1[O-])Cc1ccccc1OC ZINC000495428437 1077831147 /nfs/dbraw/zinc/83/11/47/1077831147.db2.gz ZGFWZDCVDCNUII-CQSZACIVSA-N -1 1 401.419 0.674 20 0 HCADMM COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1ncccc1[O-] ZINC000495436380 1077831894 /nfs/dbraw/zinc/83/18/94/1077831894.db2.gz OFFDYPDHJCMYNJ-HNNXBMFYSA-N -1 1 400.435 0.007 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)co1 ZINC000495441217 1077831614 /nfs/dbraw/zinc/83/16/14/1077831614.db2.gz DYYRBTDODYRSNM-JTQLQIEISA-N -1 1 409.428 0.873 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CC(C)C)c2nc(-c3nc[nH]n3)no2)co1 ZINC000495441218 1077831562 /nfs/dbraw/zinc/83/15/62/1077831562.db2.gz DYYRBTDODYRSNM-SNVBAGLBSA-N -1 1 409.428 0.873 20 0 HCADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)Nc1cccc2c1CNC2=O ZINC000495501462 1077837490 /nfs/dbraw/zinc/83/74/90/1077837490.db2.gz FRNYCHOOWIAIPJ-UHFFFAOYSA-N -1 1 411.465 0.501 20 0 HCADMM CN1CCN(C(=O)Cn2cc(NC(=O)c3nc[n-]c3C(=O)c3ccccc3)cn2)CC1 ZINC000496492413 1078076912 /nfs/dbraw/zinc/07/69/12/1078076912.db2.gz JYMWKQCWXDWYTL-UHFFFAOYSA-N -1 1 421.461 0.864 20 0 HCADMM CN(C[C@@H](O)CN1CCOCC1)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000497003240 1078116598 /nfs/dbraw/zinc/11/65/98/1078116598.db2.gz HLDSZHKBPSFYOX-CYBMUJFWSA-N -1 1 403.501 0.122 20 0 HCADMM CN(C[C@H](O)CN1CCOCC1)C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000497003241 1078116325 /nfs/dbraw/zinc/11/63/25/1078116325.db2.gz HLDSZHKBPSFYOX-ZDUSSCGKSA-N -1 1 403.501 0.122 20 0 HCADMM CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1SCc1nn[n-]n1 ZINC000497161718 1078150287 /nfs/dbraw/zinc/15/02/87/1078150287.db2.gz MBZWMLGYWGRSKK-UHFFFAOYSA-N -1 1 409.497 0.883 20 0 HCADMM CN(C)S(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c1 ZINC000497165558 1078150480 /nfs/dbraw/zinc/15/04/80/1078150480.db2.gz SRHMHXYCYUTKMB-UHFFFAOYSA-N -1 1 424.504 0.928 20 0 HCADMM CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)ccc1C ZINC000497216826 1078163023 /nfs/dbraw/zinc/16/30/23/1078163023.db2.gz YMXSDQLBZNDKNP-UHFFFAOYSA-N -1 1 424.504 0.894 20 0 HCADMM COC(=O)C[C@H]1CSCCN1C(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC000497237220 1078170398 /nfs/dbraw/zinc/17/03/98/1078170398.db2.gz OFXWXRRUBRGRKU-AWEZNQCLSA-N -1 1 424.523 0.767 20 0 HCADMM COC(=O)C[C@@H]1CSCCN1C(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC000497237221 1078170821 /nfs/dbraw/zinc/17/08/21/1078170821.db2.gz OFXWXRRUBRGRKU-CQSZACIVSA-N -1 1 424.523 0.767 20 0 HCADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCCO)cc2)cc1C(N)=O ZINC000497245459 1078173536 /nfs/dbraw/zinc/17/35/36/1078173536.db2.gz FSTBMZSBGIBAGC-UHFFFAOYSA-N -1 1 407.448 0.707 20 0 HCADMM CN(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1 ZINC000497262469 1078180977 /nfs/dbraw/zinc/18/09/77/1078180977.db2.gz OZUJXKPVFPXXDK-UHFFFAOYSA-N -1 1 424.504 0.928 20 0 HCADMM O=C(CN1CCN(C(=O)CNC(=O)c2ncccc2[O-])CC1)Nc1ccccc1F ZINC000497266216 1078182258 /nfs/dbraw/zinc/18/22/58/1078182258.db2.gz VAVAVYMEUUKQHH-UHFFFAOYSA-N -1 1 415.425 0.439 20 0 HCADMM CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000497319673 1078191056 /nfs/dbraw/zinc/19/10/56/1078191056.db2.gz KMKHQGNENOVULI-UHFFFAOYSA-N -1 1 416.459 0.466 20 0 HCADMM CCN([C@@H](C)CS(C)(=O)=O)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000497322660 1078196182 /nfs/dbraw/zinc/19/61/82/1078196182.db2.gz SBYMMHNPIMMDBM-JTQLQIEISA-N -1 1 416.518 0.641 20 0 HCADMM CCN([C@H](C)CS(C)(=O)=O)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000497322663 1078196272 /nfs/dbraw/zinc/19/62/72/1078196272.db2.gz SBYMMHNPIMMDBM-SNVBAGLBSA-N -1 1 416.518 0.641 20 0 HCADMM Cc1c(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])nnn1-c1ccn(C)n1 ZINC000497324506 1078194062 /nfs/dbraw/zinc/19/40/62/1078194062.db2.gz KVXLGZFUISZJQP-UHFFFAOYSA-N -1 1 417.451 0.708 20 0 HCADMM O=C(C[C@H]1CCCS(=O)(=O)C1)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000497324666 1078193480 /nfs/dbraw/zinc/19/34/80/1078193480.db2.gz OOLCWTLHBUKYPG-LLVKDONJSA-N -1 1 402.494 0.986 20 0 HCADMM O=C(C[C@@H]1CCCS(=O)(=O)C1)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000497324667 1078193080 /nfs/dbraw/zinc/19/30/80/1078193080.db2.gz OOLCWTLHBUKYPG-NSHDSACASA-N -1 1 402.494 0.986 20 0 HCADMM O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000497325047 1078194642 /nfs/dbraw/zinc/19/46/42/1078194642.db2.gz WJDRDPSPOHEOQI-OKILXGFUSA-N -1 1 419.459 0.723 20 0 HCADMM COC(=O)[C@H](CO)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000497408395 1078239106 /nfs/dbraw/zinc/23/91/06/1078239106.db2.gz KZIHLAUZNKOKJF-AWEZNQCLSA-N -1 1 422.415 0.480 20 0 HCADMM COC(=O)[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000497408396 1078239035 /nfs/dbraw/zinc/23/90/35/1078239035.db2.gz KZIHLAUZNKOKJF-CQSZACIVSA-N -1 1 422.415 0.480 20 0 HCADMM CC(C)CNS(=O)(=O)c1ccc(CNC(=O)CNC(=O)c2ncccc2[O-])cc1 ZINC000497435434 1078241963 /nfs/dbraw/zinc/24/19/63/1078241963.db2.gz KPSHHSRGCIOYJW-UHFFFAOYSA-N -1 1 420.491 0.768 20 0 HCADMM CN(CC(=O)N1CCOCC1)C(=O)CSc1nc([O-])cc(=O)n1C1CCCC1 ZINC000497440615 1078249939 /nfs/dbraw/zinc/24/99/39/1078249939.db2.gz BNGICWWPEGZUHJ-UHFFFAOYSA-N -1 1 410.496 0.473 20 0 HCADMM NC(=O)[C@@H]1CN(C(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CCO1 ZINC000497445038 1078245812 /nfs/dbraw/zinc/24/58/12/1078245812.db2.gz VYDJCBBFQMNEFP-KRWDZBQOSA-N -1 1 421.450 0.882 20 0 HCADMM NC(=O)[C@H]1CN(C(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CCO1 ZINC000497445043 1078245975 /nfs/dbraw/zinc/24/59/75/1078245975.db2.gz VYDJCBBFQMNEFP-QGZVFWFLSA-N -1 1 421.450 0.882 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NCc2cccnc2OCC(F)F)o1 ZINC000497469919 1078251052 /nfs/dbraw/zinc/25/10/52/1078251052.db2.gz OVGUQCONPDQQDY-UHFFFAOYSA-N -1 1 418.378 0.012 20 0 HCADMM CS(=O)(=O)N1CCN(C(=O)CNC(=O)c2ncccc2[O-])Cc2ccccc21 ZINC000497670666 1078301213 /nfs/dbraw/zinc/30/12/13/1078301213.db2.gz HKVSAVJFQIVBAP-UHFFFAOYSA-N -1 1 404.448 0.325 20 0 HCADMM CN1C(=O)C[C@@H](NC(=O)CNC(=O)c2ncccc2[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000497674743 1078304525 /nfs/dbraw/zinc/30/45/25/1078304525.db2.gz XGNZSXCMKDDUGJ-ACJLOTCBSA-N -1 1 404.373 0.883 20 0 HCADMM CN1C(=O)C[C@@H](NC(=O)CNC(=O)c2ncccc2[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000497674744 1078304486 /nfs/dbraw/zinc/30/44/86/1078304486.db2.gz XGNZSXCMKDDUGJ-FZKQIMNGSA-N -1 1 404.373 0.883 20 0 HCADMM CN1C(=O)C[C@H](NC(=O)CNC(=O)c2ncccc2[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000497674745 1078304586 /nfs/dbraw/zinc/30/45/86/1078304586.db2.gz XGNZSXCMKDDUGJ-SCLBCKFNSA-N -1 1 404.373 0.883 20 0 HCADMM CN1C(=O)C[C@H](NC(=O)CNC(=O)c2ncccc2[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000497674746 1078304608 /nfs/dbraw/zinc/30/46/08/1078304608.db2.gz XGNZSXCMKDDUGJ-UGSOOPFHSA-N -1 1 404.373 0.883 20 0 HCADMM C[NH+](C)C1CN(C(=O)c2cccc([N-]S(=O)(=O)c3ccc4nnn([O-])c4c3)c2)C1 ZINC000497711082 1078308100 /nfs/dbraw/zinc/30/81/00/1078308100.db2.gz QJSDKPNMGVJWRK-UHFFFAOYSA-N -1 1 416.463 0.855 20 0 HCADMM COC(=O)[C@@H](O)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c1 ZINC000497719974 1078312139 /nfs/dbraw/zinc/31/21/39/1078312139.db2.gz PXARPMCRSOREJL-AWEZNQCLSA-N -1 1 422.415 0.480 20 0 HCADMM COC(=O)[C@@H](O)CNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000497720537 1078312348 /nfs/dbraw/zinc/31/23/48/1078312348.db2.gz UNEWDKOXAQYVPA-INIZCTEOSA-N -1 1 410.423 0.819 20 0 HCADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000497738031 1078315039 /nfs/dbraw/zinc/31/50/39/1078315039.db2.gz BCCRKIZWXRYKGF-UHFFFAOYSA-N -1 1 419.507 0.802 20 0 HCADMM O=C(CN1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1)NCc1ccccc1 ZINC000497738056 1078315077 /nfs/dbraw/zinc/31/50/77/1078315077.db2.gz BMMRWUFTLLACHG-UHFFFAOYSA-N -1 1 405.458 0.997 20 0 HCADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000497739974 1078315537 /nfs/dbraw/zinc/31/55/37/1078315537.db2.gz RNTWMCMOXGPQOL-UHFFFAOYSA-N -1 1 422.470 0.951 20 0 HCADMM Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000497740161 1078315857 /nfs/dbraw/zinc/31/58/57/1078315857.db2.gz UABKKVRHMQVYLT-UHFFFAOYSA-N -1 1 417.447 0.675 20 0 HCADMM Cn1[n-]c(CN2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)nc1=O ZINC000497747252 1078317573 /nfs/dbraw/zinc/31/75/73/1078317573.db2.gz DKKKBRHQTYYKOU-UHFFFAOYSA-N -1 1 401.858 0.630 20 0 HCADMM Cn1[n-]c(CN2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)nc1=O ZINC000497750158 1078318663 /nfs/dbraw/zinc/31/86/63/1078318663.db2.gz LIACQVLZODGLBY-UHFFFAOYSA-N -1 1 406.295 0.922 20 0 HCADMM Cn1[n-]c(CN2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)nc1=O ZINC000497762211 1078321128 /nfs/dbraw/zinc/32/11/28/1078321128.db2.gz BKLCNOBPVUBBPY-UHFFFAOYSA-N -1 1 422.330 0.439 20 0 HCADMM Cn1[n-]c(CN2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)nc1=O ZINC000497763107 1078321250 /nfs/dbraw/zinc/32/12/50/1078321250.db2.gz KVANXPNJMMLKCA-UHFFFAOYSA-N -1 1 406.295 0.922 20 0 HCADMM Cn1[n-]c(CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)nc1=O ZINC000497764380 1078321785 /nfs/dbraw/zinc/32/17/85/1078321785.db2.gz ZKQSPTNIVZAZNG-UHFFFAOYSA-N -1 1 406.295 0.922 20 0 HCADMM Cc1noc(COCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])n1 ZINC000497780722 1078323651 /nfs/dbraw/zinc/32/36/51/1078323651.db2.gz APUMWKQBFSENBR-UHFFFAOYSA-N -1 1 412.424 0.260 20 0 HCADMM COCC(=O)N[C@H](C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])C(C)C ZINC000497782228 1078323924 /nfs/dbraw/zinc/32/39/24/1078323924.db2.gz JESJBIQHLOMQNU-KRWDZBQOSA-N -1 1 413.496 0.902 20 0 HCADMM Cn1cc([N-]S(=O)(=O)c2ccsc2C(=O)NCCN2CCN(C)CC2)cn1 ZINC000497814654 1078326931 /nfs/dbraw/zinc/32/69/31/1078326931.db2.gz GKJJMNCIDHYKBQ-UHFFFAOYSA-N -1 1 412.541 0.260 20 0 HCADMM CN1C(=O)Cc2cc(S(=O)(=O)[N-]c3ccc(CC(=O)NCCO)cc3)ccc21 ZINC000497857868 1078333815 /nfs/dbraw/zinc/33/38/15/1078333815.db2.gz NMTJRNXLGRFXTE-UHFFFAOYSA-N -1 1 403.460 0.657 20 0 HCADMM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1ccc(CC(=O)NCCO)cc1 ZINC000497904449 1078340856 /nfs/dbraw/zinc/34/08/56/1078340856.db2.gz LOBFFSMCZSCNSK-UHFFFAOYSA-N -1 1 422.459 0.774 20 0 HCADMM COc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)NCCO)cc2)cc1C(N)=O ZINC000497914934 1078342631 /nfs/dbraw/zinc/34/26/31/1078342631.db2.gz QIAQDRKFULIPEQ-UHFFFAOYSA-N -1 1 407.448 0.246 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC[C@@H](O)COC)c(OC)c1 ZINC000497934770 1078345217 /nfs/dbraw/zinc/34/52/17/1078345217.db2.gz UPTUZQRJUCIIOP-CYBMUJFWSA-N -1 1 410.514 0.523 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC[C@H](O)COC)c(OC)c1 ZINC000497934771 1078345157 /nfs/dbraw/zinc/34/51/57/1078345157.db2.gz UPTUZQRJUCIIOP-ZDUSSCGKSA-N -1 1 410.514 0.523 20 0 HCADMM Cc1cccc([C@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c2ccccn2)c1 ZINC000497935271 1078345191 /nfs/dbraw/zinc/34/51/91/1078345191.db2.gz WISSDWXHIZENJT-KRWDZBQOSA-N -1 1 400.460 0.855 20 0 HCADMM Cc1cccc([C@@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c2ccccn2)c1 ZINC000497935273 1078345138 /nfs/dbraw/zinc/34/51/38/1078345138.db2.gz WISSDWXHIZENJT-QGZVFWFLSA-N -1 1 400.460 0.855 20 0 HCADMM O=c1nc2[nH]cc(S(=O)(=O)N3CCC[C@H](c4n[nH]c(C5CC5)n4)C3)cc-2c(=O)[n-]1 ZINC000497970754 1078350308 /nfs/dbraw/zinc/35/03/08/1078350308.db2.gz WUMWYOBLQXJVAY-JTQLQIEISA-N -1 1 417.451 1.000 20 0 HCADMM O=c1nc2[nH]cc(S(=O)(=O)N3CCC[C@@H](c4n[nH]c(C5CC5)n4)C3)cc-2c(=O)[n-]1 ZINC000497970802 1078350173 /nfs/dbraw/zinc/35/01/73/1078350173.db2.gz WUMWYOBLQXJVAY-SNVBAGLBSA-N -1 1 417.451 1.000 20 0 HCADMM Cn1cc(S(=O)(=O)[N-][C@@H](c2cccc(F)c2)c2ccccn2)c(=O)n(C)c1=O ZINC000497979356 1078352303 /nfs/dbraw/zinc/35/23/03/1078352303.db2.gz TYNGXSOLRJYDGO-INIZCTEOSA-N -1 1 404.423 0.686 20 0 HCADMM Cn1cc(S(=O)(=O)[N-][C@H](c2cccc(F)c2)c2ccccn2)c(=O)n(C)c1=O ZINC000497979357 1078352212 /nfs/dbraw/zinc/35/22/12/1078352212.db2.gz TYNGXSOLRJYDGO-MRXNPFEDSA-N -1 1 404.423 0.686 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC2(C(=O)OC)CC2)c(OC)c1 ZINC000497992371 1078354456 /nfs/dbraw/zinc/35/44/56/1078354456.db2.gz DMZLJPCDSMBHHA-UHFFFAOYSA-N -1 1 406.482 0.831 20 0 HCADMM CN1C(=O)C(=O)N(CC(=O)Nc2cccc([N-]S(=O)(=O)c3ccccc3)c2)C1=O ZINC000498202283 1078395262 /nfs/dbraw/zinc/39/52/62/1078395262.db2.gz QJUNFEFCFWWZEF-UHFFFAOYSA-N -1 1 416.415 0.847 20 0 HCADMM CN1C(=O)C(=O)N(CC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3)c2)C1=O ZINC000498210924 1078403365 /nfs/dbraw/zinc/40/33/65/1078403365.db2.gz QUHNOKHTFBVOMT-UHFFFAOYSA-N -1 1 416.415 0.847 20 0 HCADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC[C@H]1C(=O)N1CCN(C)CC1 ZINC000498499097 1078665338 /nfs/dbraw/zinc/66/53/38/1078665338.db2.gz YAPVEWDSNKIUTE-KRWDZBQOSA-N -1 1 414.510 0.749 20 0 HCADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N1CCC[C@@H]1C(=O)N1CCN(C)CC1 ZINC000498499099 1078665240 /nfs/dbraw/zinc/66/52/40/1078665240.db2.gz YAPVEWDSNKIUTE-QGZVFWFLSA-N -1 1 414.510 0.749 20 0 HCADMM Cc1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)ccc1S(C)(=O)=O ZINC000498500361 1078667246 /nfs/dbraw/zinc/66/72/46/1078667246.db2.gz VDAJNHSQRONWJK-UHFFFAOYSA-N -1 1 409.445 0.729 20 0 HCADMM Cn1cnc2cc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3[O-])cnc21 ZINC000498503351 1078667266 /nfs/dbraw/zinc/66/72/66/1078667266.db2.gz MKTMNCIUCYIALY-UHFFFAOYSA-N -1 1 417.447 0.947 20 0 HCADMM CSc1nc(C)c(CCC(=O)N2CCC[C@H]2C(=O)N2CCN(C)CC2)c(=O)[n-]1 ZINC000498505219 1078669965 /nfs/dbraw/zinc/66/99/65/1078669965.db2.gz SRAVWPDDCMGCBP-HNNXBMFYSA-N -1 1 407.540 0.910 20 0 HCADMM CSc1nc(C)c(CCC(=O)N2CCC[C@@H]2C(=O)N2CCN(C)CC2)c(=O)[n-]1 ZINC000498505229 1078670807 /nfs/dbraw/zinc/67/08/07/1078670807.db2.gz SRAVWPDDCMGCBP-OAHLLOKOSA-N -1 1 407.540 0.910 20 0 HCADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCC(N3CCS(=O)(=O)CC3)CC1)c2=O ZINC000498537244 1078700790 /nfs/dbraw/zinc/70/07/90/1078700790.db2.gz QLYNAQPOAIISJP-UHFFFAOYSA-N -1 1 404.492 0.979 20 0 HCADMM Cc1ccc2c([O-])c(C(=O)N3CCC(N4CCS(=O)(=O)CC4)CC3)cnc2n1 ZINC000498537244 1078700787 /nfs/dbraw/zinc/70/07/87/1078700787.db2.gz QLYNAQPOAIISJP-UHFFFAOYSA-N -1 1 404.492 0.979 20 0 HCADMM O=C(CCNC(=O)c1nc2ccccc2c(=O)[n-]1)N1CCN(c2ccccn2)CC1 ZINC000498576732 1078735662 /nfs/dbraw/zinc/73/56/62/1078735662.db2.gz LXTNMPNXXRKNCI-UHFFFAOYSA-N -1 1 406.446 0.787 20 0 HCADMM O=C(N[C@@H]1CNC(=O)C1)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000498596043 1073881685 /nfs/dbraw/zinc/88/16/85/1073881685.db2.gz YQFKKCMGZUPFKT-AWEZNQCLSA-N -1 1 417.443 0.877 20 0 HCADMM O=C(N[C@H]1CNC(=O)C1)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000498596045 1078749546 /nfs/dbraw/zinc/74/95/46/1078749546.db2.gz YQFKKCMGZUPFKT-CQSZACIVSA-N -1 1 417.443 0.877 20 0 HCADMM CC(C)(C)c1nc(CCNC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)cs1 ZINC000498612114 1078763952 /nfs/dbraw/zinc/76/39/52/1078763952.db2.gz FVKHRGSRWAQQLN-UHFFFAOYSA-N -1 1 414.509 0.770 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccnc2OCC(F)F)o1 ZINC000498757337 1078856929 /nfs/dbraw/zinc/85/69/29/1078856929.db2.gz KVKBVGORSUBTHU-UHFFFAOYSA-N -1 1 404.351 0.334 20 0 HCADMM CC(C)N(CC(=O)OC(C)(C)C)C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000498822836 1078906188 /nfs/dbraw/zinc/90/61/88/1078906188.db2.gz GICQFGQODYROFN-UHFFFAOYSA-N -1 1 403.457 0.236 20 0 HCADMM O=C(Cn1cc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)cn1)N1CCOCC1 ZINC000498922946 1078953148 /nfs/dbraw/zinc/95/31/48/1078953148.db2.gz HJHLROCWYMVTDI-UHFFFAOYSA-N -1 1 408.418 0.948 20 0 HCADMM COCCn1nnc2c1CCN(C(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)C2 ZINC000499164621 1079063835 /nfs/dbraw/zinc/06/38/35/1079063835.db2.gz PXOYGBCNMXZWFM-UHFFFAOYSA-N -1 1 411.484 0.793 20 0 HCADMM CSc1nc(C)c(CCC(=O)Nc2ccc(C(=O)NCC(N)=O)cc2)c(=O)[n-]1 ZINC000499219347 1079098910 /nfs/dbraw/zinc/09/89/10/1079098910.db2.gz OYLKMIPGZSDFNE-UHFFFAOYSA-N -1 1 403.464 0.999 20 0 HCADMM COCCS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)cc1 ZINC000499271117 1079127039 /nfs/dbraw/zinc/12/70/39/1079127039.db2.gz HMVZGGPPUFJBDS-UHFFFAOYSA-N -1 1 423.476 0.883 20 0 HCADMM COCCS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1 ZINC000499275989 1079127354 /nfs/dbraw/zinc/12/73/54/1079127354.db2.gz PUHTYWUEBNWYHY-UHFFFAOYSA-N -1 1 402.450 0.944 20 0 HCADMM COCCS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)cc1 ZINC000499287203 1079133176 /nfs/dbraw/zinc/13/31/76/1079133176.db2.gz CZYWVPMDTSQTDE-UHFFFAOYSA-N -1 1 423.476 0.883 20 0 HCADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)N1CCN(C(=O)C(C)(C)C)CC1 ZINC000499319999 1079143919 /nfs/dbraw/zinc/14/39/19/1079143919.db2.gz IVKZLKYPXUXHBO-UHFFFAOYSA-N -1 1 419.526 0.977 20 0 HCADMM COC(=O)Cc1c(C(=O)OC)sc2[n-]c(CN3CCC[C@H](CO)C3)nc(=O)c12 ZINC000499683860 1081042347 /nfs/dbraw/zinc/04/23/47/1081042347.db2.gz HMSMXEWBZFILJC-JTQLQIEISA-N -1 1 409.464 0.691 20 0 HCADMM COC(=O)Cc1c(C(=O)OC)sc2[n-]c(CN3CCC[C@@H](CO)C3)nc(=O)c12 ZINC000499683867 1081042274 /nfs/dbraw/zinc/04/22/74/1081042274.db2.gz HMSMXEWBZFILJC-SNVBAGLBSA-N -1 1 409.464 0.691 20 0 HCADMM COCCn1cc(CNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)cn1 ZINC000499706750 1081084686 /nfs/dbraw/zinc/08/46/86/1081084686.db2.gz MAXTYSXGFHCKIF-UHFFFAOYSA-N -1 1 406.461 0.519 20 0 HCADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]Cc1cc(S(C)(=O)=O)ccc1F ZINC000499716599 1081105891 /nfs/dbraw/zinc/10/58/91/1081105891.db2.gz AAMCEFBIKSXRGD-UHFFFAOYSA-N -1 1 405.429 0.608 20 0 HCADMM O=C(CN1CCOCC1)N1CCN(C(=O)c2ccc(Br)c([O-])c2)CC1 ZINC000499718492 1081108080 /nfs/dbraw/zinc/10/80/80/1081108080.db2.gz CGJXSQWXFMAJID-UHFFFAOYSA-N -1 1 412.284 0.771 20 0 HCADMM COC(=O)Cc1c(C(=O)OC)sc2[n-]c(CN3CCCC[C@H]3C(N)=O)nc(=O)c12 ZINC000499721905 1081109710 /nfs/dbraw/zinc/10/97/10/1081109710.db2.gz VWSDSEDBBZTZDM-JTQLQIEISA-N -1 1 422.463 0.327 20 0 HCADMM COC(=O)Cc1c(C(=O)OC)sc2[n-]c(CN3CCCC[C@@H]3C(N)=O)nc(=O)c12 ZINC000499721906 1081109652 /nfs/dbraw/zinc/10/96/52/1081109652.db2.gz VWSDSEDBBZTZDM-SNVBAGLBSA-N -1 1 422.463 0.327 20 0 HCADMM COC(=O)Cc1c(C(=O)OC)sc2[n-]c(CN(C)CC(=O)N(C)C)nc(=O)c12 ZINC000499727694 1081120802 /nfs/dbraw/zinc/12/08/02/1081120802.db2.gz UWOBQMUVRPQLSK-UHFFFAOYSA-N -1 1 410.452 0.007 20 0 HCADMM COc1ccc(NC(=O)N2CCN(C(=O)[C@@H](C)O)CC2)cc1[N-]S(C)(=O)=O ZINC000499884966 1081291909 /nfs/dbraw/zinc/29/19/09/1081291909.db2.gz DPPYBVRSAIISDK-LLVKDONJSA-N -1 1 400.457 0.124 20 0 HCADMM COc1ccc(NC(=O)N2CCN(C(=O)[C@H](C)O)CC2)cc1[N-]S(C)(=O)=O ZINC000499884976 1081291875 /nfs/dbraw/zinc/29/18/75/1081291875.db2.gz DPPYBVRSAIISDK-NSHDSACASA-N -1 1 400.457 0.124 20 0 HCADMM COc1cc(NC(=O)N2CCN(C(=O)[C@@H](C)O)CC2)ccc1[N-]S(C)(=O)=O ZINC000499898333 1081297491 /nfs/dbraw/zinc/29/74/91/1081297491.db2.gz NNCDWPGWQGGANH-LLVKDONJSA-N -1 1 400.457 0.124 20 0 HCADMM COc1cc(NC(=O)N2CCN(C(=O)[C@H](C)O)CC2)ccc1[N-]S(C)(=O)=O ZINC000499898334 1081297448 /nfs/dbraw/zinc/29/74/48/1081297448.db2.gz NNCDWPGWQGGANH-NSHDSACASA-N -1 1 400.457 0.124 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)COc3ccc(C)cc3)CC2)o1 ZINC000499902635 1081301508 /nfs/dbraw/zinc/30/15/08/1081301508.db2.gz HHGJXKMWEWLBLS-UHFFFAOYSA-N -1 1 421.475 0.860 20 0 HCADMM C[C@@H](NC(=O)c1ccc(Br)c([O-])c1)C(=O)N1CCS(=O)(=O)CC1 ZINC000499902860 1081301380 /nfs/dbraw/zinc/30/13/80/1081301380.db2.gz WSFLBUXQRYHVHF-SECBINFHSA-N -1 1 405.270 0.530 20 0 HCADMM C[C@H](NC(=O)c1ccc(Br)c([O-])c1)C(=O)N1CCS(=O)(=O)CC1 ZINC000499902861 1081301485 /nfs/dbraw/zinc/30/14/85/1081301485.db2.gz WSFLBUXQRYHVHF-VIFPVBQESA-N -1 1 405.270 0.530 20 0 HCADMM O=C(NCCN1C(=O)CNC1=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC000499928523 1081309700 /nfs/dbraw/zinc/30/97/00/1081309700.db2.gz JWMZJGMMORCAKH-UHFFFAOYSA-N -1 1 420.422 0.908 20 0 HCADMM O=C(NCCN1C(=O)CNC1=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000499934501 1081311461 /nfs/dbraw/zinc/31/14/61/1081311461.db2.gz RYISPJZVYBKHLC-UHFFFAOYSA-N -1 1 402.432 0.769 20 0 HCADMM O=C(NCCN1C(=O)CNC1=O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000499934556 1081311572 /nfs/dbraw/zinc/31/15/72/1081311572.db2.gz SGODNWGXJMWDPD-UHFFFAOYSA-N -1 1 402.432 0.769 20 0 HCADMM O=C(NCCN1C(=O)CNC1=O)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000499951052 1081326826 /nfs/dbraw/zinc/32/68/26/1081326826.db2.gz MGSQWXGKFDHFAZ-UHFFFAOYSA-N -1 1 402.432 0.769 20 0 HCADMM O=C(NCCN1C(=O)CNC1=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000499954874 1081326256 /nfs/dbraw/zinc/32/62/56/1081326256.db2.gz RUXBZIQOGHMXRZ-UHFFFAOYSA-N -1 1 420.422 0.908 20 0 HCADMM O=C(NCCN1C(=O)CNC1=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000499967918 1081337002 /nfs/dbraw/zinc/33/70/02/1081337002.db2.gz IZMZKINRTPVFTI-UHFFFAOYSA-N -1 1 420.422 0.908 20 0 HCADMM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N(CC(N)=O)CC(N)=O)ccc2C)cc1 ZINC000499985418 1081341983 /nfs/dbraw/zinc/34/19/83/1081341983.db2.gz YZLDFRBERUYQIL-UHFFFAOYSA-N -1 1 418.475 0.517 20 0 HCADMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N(CC(N)=O)CC(N)=O)ccc2C)c1 ZINC000499993334 1081345621 /nfs/dbraw/zinc/34/56/21/1081345621.db2.gz UARSSJZCQCTLQI-UHFFFAOYSA-N -1 1 418.475 0.517 20 0 HCADMM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(CC(N)=O)CC(N)=O)c2)c1 ZINC000499993838 1081345973 /nfs/dbraw/zinc/34/59/73/1081345973.db2.gz WCTZSARFCQISFM-UHFFFAOYSA-N -1 1 418.475 0.517 20 0 HCADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N(CC(N)=O)CC(N)=O)cc1 ZINC000499994140 1081345901 /nfs/dbraw/zinc/34/59/01/1081345901.db2.gz WRMMHIZLHFIBRY-UHFFFAOYSA-N -1 1 422.438 0.348 20 0 HCADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)c1cc2ccccc2c(=O)o1 ZINC000502854548 1074762056 /nfs/dbraw/zinc/76/20/56/1074762056.db2.gz GUZCSYLGXHIKGH-UHFFFAOYSA-N -1 1 409.445 0.972 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2c2noc(-c3cnn(C)c3)n2)o1 ZINC000503614776 1074810536 /nfs/dbraw/zinc/81/05/36/1074810536.db2.gz FTNJUAWVDIZFBV-LLVKDONJSA-N -1 1 422.423 0.185 20 0 HCADMM CC(C)(C)Oc1cccc(CNC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)n1 ZINC000504179409 1075335516 /nfs/dbraw/zinc/33/55/16/1075335516.db2.gz BMXGRBJPXNSFHA-UHFFFAOYSA-N -1 1 410.452 0.546 20 0 HCADMM CNC(=O)c1cc(S(=O)(=O)Nc2ccc(C(=O)NCCC(=O)[O-])cc2)cn1C ZINC000505002878 1075456055 /nfs/dbraw/zinc/45/60/55/1075456055.db2.gz NJPOQOJITPAAFG-UHFFFAOYSA-N -1 1 408.436 0.390 20 0 HCADMM COC(=O)C(C)(C)CCNC(=O)C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000506614887 1075686231 /nfs/dbraw/zinc/68/62/31/1075686231.db2.gz MUSMZKPZAPWEBC-UHFFFAOYSA-N -1 1 415.468 0.711 20 0 HCADMM CN(C)S(=O)(=O)c1cc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)ccc1F ZINC000507561512 1075802155 /nfs/dbraw/zinc/80/21/55/1075802155.db2.gz CNEBUGVAVOMYDE-UHFFFAOYSA-N -1 1 405.429 0.914 20 0 HCADMM Cc1cnn(C)c1S(=O)(=O)[N-]c1cccc(S(=O)(=O)NCCN(C)C)c1 ZINC000508187543 1075850285 /nfs/dbraw/zinc/85/02/85/1075850285.db2.gz OWTFXXONUBHNPR-UHFFFAOYSA-N -1 1 401.514 0.369 20 0 HCADMM COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000508844800 1074762093 /nfs/dbraw/zinc/76/20/93/1074762093.db2.gz IICQPEQYIMOGBW-LBPRGKRZSA-N -1 1 423.447 0.247 20 0 HCADMM COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CCNS(C)(=O)=O ZINC000508952018 1081314275 /nfs/dbraw/zinc/31/42/75/1081314275.db2.gz QTWSUCRXGSMXPB-UHFFFAOYSA-N -1 1 405.281 0.608 20 0 HCADMM CO[C@H](C)CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000509068620 1081378367 /nfs/dbraw/zinc/37/83/67/1081378367.db2.gz RGQZWPXAVOXCQN-CHWSQXEVSA-N -1 1 420.509 0.949 20 0 HCADMM CO[C@H](C)CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000509068625 1081378280 /nfs/dbraw/zinc/37/82/80/1081378280.db2.gz RGQZWPXAVOXCQN-OLZOCXBDSA-N -1 1 420.509 0.949 20 0 HCADMM CO[C@@H](C)CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000509068630 1081378476 /nfs/dbraw/zinc/37/84/76/1081378476.db2.gz RGQZWPXAVOXCQN-QWHCGFSZSA-N -1 1 420.509 0.949 20 0 HCADMM CO[C@@H](C)CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000509068633 1081378398 /nfs/dbraw/zinc/37/83/98/1081378398.db2.gz RGQZWPXAVOXCQN-STQMWFEESA-N -1 1 420.509 0.949 20 0 HCADMM Cn1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccccc2C(F)(F)F)c(=O)n(C)c1=O ZINC000509712887 1074689856 /nfs/dbraw/zinc/68/98/56/1074689856.db2.gz MNZOKYLSBJOXHV-CMPLNLGQSA-N -1 1 403.382 0.937 20 0 HCADMM Cn1cc(S(=O)(=O)[N-][C@H]2C[C@H]2c2ccccc2C(F)(F)F)c(=O)n(C)c1=O ZINC000509712888 1074690138 /nfs/dbraw/zinc/69/01/38/1074690138.db2.gz MNZOKYLSBJOXHV-JQWIXIFHSA-N -1 1 403.382 0.937 20 0 HCADMM Cn1cc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2ccccc2C(F)(F)F)c(=O)n(C)c1=O ZINC000509712889 1074690027 /nfs/dbraw/zinc/69/00/27/1074690027.db2.gz MNZOKYLSBJOXHV-PWSUYJOCSA-N -1 1 403.382 0.937 20 0 HCADMM Cn1cc(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)c(=O)n(C)c1=O ZINC000509713178 1074690097 /nfs/dbraw/zinc/69/00/97/1074690097.db2.gz MNZOKYLSBJOXHV-ZYHUDNBSSA-N -1 1 403.382 0.937 20 0 HCADMM Cn1cc(S(=O)(=O)[N-]Cc2ccc(OC3CCCCC3)nc2)c(=O)n(C)c1=O ZINC000523365948 1077786335 /nfs/dbraw/zinc/78/63/35/1077786335.db2.gz RPKAFPJESOYXCW-UHFFFAOYSA-N -1 1 408.480 0.669 20 0 HCADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000523389812 1077792646 /nfs/dbraw/zinc/79/26/46/1077792646.db2.gz HLHNSWQRCBPBNX-UHFFFAOYSA-N -1 1 421.461 0.512 20 0 HCADMM COC(=O)[C@@]1(NC(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)CCSC1 ZINC000534014820 1074538054 /nfs/dbraw/zinc/53/80/54/1074538054.db2.gz KGYAQFYCHUYECM-GOSISDBHSA-N -1 1 410.496 0.425 20 0 HCADMM COC(=O)[C@]1(NC(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)CCSC1 ZINC000534014821 1074538104 /nfs/dbraw/zinc/53/81/04/1074538104.db2.gz KGYAQFYCHUYECM-SFHVURJKSA-N -1 1 410.496 0.425 20 0 HCADMM CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N(CCN(C)C)CC(=O)[O-])cc1 ZINC000534026591 1074542597 /nfs/dbraw/zinc/54/25/97/1074542597.db2.gz SSBNUHWPOZPIGG-UHFFFAOYSA-N -1 1 421.541 0.865 20 0 HCADMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 ZINC000534046984 1074544118 /nfs/dbraw/zinc/54/41/18/1074544118.db2.gz OXWZXEKLYOGDHA-UHFFFAOYSA-N -1 1 411.402 0.616 20 0 HCADMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000534048172 1074544001 /nfs/dbraw/zinc/54/40/01/1074544001.db2.gz CISKTDVRYKDREV-UHFFFAOYSA-N -1 1 419.525 0.108 20 0 HCADMM CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N(CCN(C)C)CC(=O)[O-])cc1 ZINC000534049541 1074544590 /nfs/dbraw/zinc/54/45/90/1074544590.db2.gz ZOMYUZGONBPNJO-UHFFFAOYSA-N -1 1 421.541 0.354 20 0 HCADMM O=C(Cn1nc2ccccn2c1=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000534055496 1074545792 /nfs/dbraw/zinc/54/57/92/1074545792.db2.gz YLDPNTNFABEZRS-UHFFFAOYSA-N -1 1 417.447 0.625 20 0 HCADMM CSCC[C@@H](NC(N)=O)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000534056701 1074545872 /nfs/dbraw/zinc/54/58/72/1074545872.db2.gz ICUTZHXZMZOOAS-GFCCVEGCSA-N -1 1 416.525 0.905 20 0 HCADMM CSCC[C@H](NC(N)=O)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000534056702 1074545929 /nfs/dbraw/zinc/54/59/29/1074545929.db2.gz ICUTZHXZMZOOAS-LBPRGKRZSA-N -1 1 416.525 0.905 20 0 HCADMM COC(=O)CSCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000534056994 1074545909 /nfs/dbraw/zinc/54/59/09/1074545909.db2.gz TYXOVFMQEGHZCE-UHFFFAOYSA-N -1 1 418.493 0.648 20 0 HCADMM Cn1cc(S(=O)(=O)[N-]C2(c3ccc(F)cc3F)CCOCC2)c(=O)n(C)c1=O ZINC000534083544 1074546330 /nfs/dbraw/zinc/54/63/30/1074546330.db2.gz HFXRZLRAFDYSMB-UHFFFAOYSA-N -1 1 415.418 0.346 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)[C@@H]2CCNC2=O)c(OC)c1 ZINC000534133310 1074574037 /nfs/dbraw/zinc/57/40/37/1074574037.db2.gz FCTZSDYNEISMHV-GFCCVEGCSA-N -1 1 405.498 0.356 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)[C@H]2CCNC2=O)c(OC)c1 ZINC000534133311 1074574155 /nfs/dbraw/zinc/57/41/55/1074574155.db2.gz FCTZSDYNEISMHV-LBPRGKRZSA-N -1 1 405.498 0.356 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCN(C)C(=O)C2)c(OC)c1 ZINC000534136262 1074574531 /nfs/dbraw/zinc/57/45/31/1074574531.db2.gz AFNZIKGRYBLXBW-UHFFFAOYSA-N -1 1 405.498 0.310 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCNC(=O)C(C)C)c(OC)c1 ZINC000534136761 1074574675 /nfs/dbraw/zinc/57/46/75/1074574675.db2.gz PUZLLXJORPXAKQ-UHFFFAOYSA-N -1 1 421.541 0.897 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC(=O)N2CCCC2)c(OC)c1 ZINC000534138995 1074575245 /nfs/dbraw/zinc/57/52/45/1074575245.db2.gz XUJDGNOOTCVARQ-UHFFFAOYSA-N -1 1 419.525 0.748 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCNC(=O)C2(C)C)c(OC)c1 ZINC000534139009 1074575137 /nfs/dbraw/zinc/57/51/37/1074575137.db2.gz YQGYFARDXZQKIL-UHFFFAOYSA-N -1 1 419.525 0.746 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@](C)(O)CCOC)c(OC)c1 ZINC000534139145 1074568393 /nfs/dbraw/zinc/56/83/93/1074568393.db2.gz NCFUKDODPZTXOC-INIZCTEOSA-N -1 1 424.541 0.913 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@](C)(O)CCOC)c(OC)c1 ZINC000534139146 1074568315 /nfs/dbraw/zinc/56/83/15/1074568315.db2.gz NCFUKDODPZTXOC-MRXNPFEDSA-N -1 1 424.541 0.913 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@](C)(O)COC)c(OC)c1 ZINC000534139458 1074568155 /nfs/dbraw/zinc/56/81/55/1074568155.db2.gz XMEOKOZAJZXPKM-HNNXBMFYSA-N -1 1 410.514 0.523 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@](C)(O)COC)c(OC)c1 ZINC000534139459 1074568477 /nfs/dbraw/zinc/56/84/77/1074568477.db2.gz XMEOKOZAJZXPKM-OAHLLOKOSA-N -1 1 410.514 0.523 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(CCO)CCOC)c(OC)c1 ZINC000534139887 1074568271 /nfs/dbraw/zinc/56/82/71/1074568271.db2.gz OERFGXGBKHTMOQ-UHFFFAOYSA-N -1 1 410.514 0.476 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(CC)CC(=O)NCC)c(OC)c1 ZINC000534145681 1074570700 /nfs/dbraw/zinc/57/07/00/1074570700.db2.gz HBAGHEDUEVDJSD-UHFFFAOYSA-N -1 1 421.541 0.994 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)CC(=O)NC(C)C)c(OC)c1 ZINC000534147947 1074577272 /nfs/dbraw/zinc/57/72/72/1074577272.db2.gz VXMYYYMPKDZILA-UHFFFAOYSA-N -1 1 421.541 0.992 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCN(CCO)CC2)c(OC)c1 ZINC000534148536 1074577714 /nfs/dbraw/zinc/57/77/14/1074577714.db2.gz XFIFDVCLGHGXGJ-UHFFFAOYSA-N -1 1 421.541 0.146 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@@H](C(N)=O)C2)c(OC)c1 ZINC000534148610 1074577765 /nfs/dbraw/zinc/57/77/65/1074577765.db2.gz ZOZIBVYGZDJFPQ-GFCCVEGCSA-N -1 1 419.525 0.733 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@H](C(N)=O)C2)c(OC)c1 ZINC000534148611 1074577637 /nfs/dbraw/zinc/57/76/37/1074577637.db2.gz ZOZIBVYGZDJFPQ-LBPRGKRZSA-N -1 1 419.525 0.733 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)Cc2nnnn2C)c(OC)c1 ZINC000534165362 1074576535 /nfs/dbraw/zinc/57/65/35/1074576535.db2.gz OZGIBKZOVZDTCJ-UHFFFAOYSA-N -1 1 418.501 0.191 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCc2ncn(C)n2)c(OC)c1 ZINC000534165765 1074576640 /nfs/dbraw/zinc/57/66/40/1074576640.db2.gz NQQLGOLMCLQLKQ-UHFFFAOYSA-N -1 1 417.513 0.496 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C)C(=O)N(C)C)c(OC)c1 ZINC000534169359 1074582338 /nfs/dbraw/zinc/58/23/38/1074582338.db2.gz VAWRWKDTDOIPLU-LLVKDONJSA-N -1 1 407.514 0.602 20 0 HCADMM CS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(-n3cnnn3)c2)cc1F ZINC000534207131 1074584778 /nfs/dbraw/zinc/58/47/78/1074584778.db2.gz NFYJMPLZOIHFAT-UHFFFAOYSA-N -1 1 412.428 0.974 20 0 HCADMM O=S(=O)([N-]c1cccc(-n2cnnn2)c1)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000534207298 1074584703 /nfs/dbraw/zinc/58/47/03/1074584703.db2.gz VJWGQTYQVBDCEG-UHFFFAOYSA-N -1 1 420.476 0.904 20 0 HCADMM O=C(CO)N1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CC1 ZINC000534264335 1074593854 /nfs/dbraw/zinc/59/38/54/1074593854.db2.gz IYVURUSUHXGIGB-UHFFFAOYSA-N -1 1 403.460 0.764 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(CNC(=O)c3cnn(C)c3)CC2)co1 ZINC000534387519 1074606304 /nfs/dbraw/zinc/60/63/04/1074606304.db2.gz QLIJGPADZXSCGH-UHFFFAOYSA-N -1 1 409.468 0.203 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2cccc(OCCN3CCOCC3)c2)co1 ZINC000534388970 1074606298 /nfs/dbraw/zinc/60/62/98/1074606298.db2.gz RUKFROIHSDGWDS-UHFFFAOYSA-N -1 1 423.491 0.829 20 0 HCADMM CCOC(=O)CSc1nnc([N-]C(=O)c2coc(S(=O)(=O)NC)c2)s1 ZINC000534389636 1074606242 /nfs/dbraw/zinc/60/62/42/1074606242.db2.gz CXSQKTVOQLQICH-UHFFFAOYSA-N -1 1 406.467 0.947 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)co1 ZINC000534390640 1074606801 /nfs/dbraw/zinc/60/68/01/1074606801.db2.gz OAZGLKFEZACOIB-LLVKDONJSA-N -1 1 415.493 0.929 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)co1 ZINC000534390642 1074606621 /nfs/dbraw/zinc/60/66/21/1074606621.db2.gz OAZGLKFEZACOIB-NSHDSACASA-N -1 1 415.493 0.929 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ncn(CC(=O)NCc3ccccc3)n2)co1 ZINC000534391672 1074607241 /nfs/dbraw/zinc/60/72/41/1074607241.db2.gz YKVUNSJEPSFSQF-UHFFFAOYSA-N -1 1 418.435 0.348 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)CN2CCN(c3ccccn3)CC2)co1 ZINC000534394917 1074607686 /nfs/dbraw/zinc/60/76/86/1074607686.db2.gz MLLKYBDRYBXORW-AWEZNQCLSA-N -1 1 407.496 0.523 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)CN2CCN(c3ccccn3)CC2)co1 ZINC000534394918 1074607726 /nfs/dbraw/zinc/60/77/26/1074607726.db2.gz MLLKYBDRYBXORW-CQSZACIVSA-N -1 1 407.496 0.523 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCc3ccc(S(=O)(=O)N(C)C)cc32)co1 ZINC000534395717 1074607706 /nfs/dbraw/zinc/60/77/06/1074607706.db2.gz TVWAAHYICGYUBA-UHFFFAOYSA-N -1 1 413.477 0.641 20 0 HCADMM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000534401256 1074612278 /nfs/dbraw/zinc/61/22/78/1074612278.db2.gz PWXCBABOGAKFCK-UHFFFAOYSA-N -1 1 409.351 0.863 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)co1 ZINC000534403102 1074612951 /nfs/dbraw/zinc/61/29/51/1074612951.db2.gz FCSXPDQQWUFZAO-AWEZNQCLSA-N -1 1 412.512 0.347 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)co1 ZINC000534403103 1074613130 /nfs/dbraw/zinc/61/31/30/1074613130.db2.gz FCSXPDQQWUFZAO-CQSZACIVSA-N -1 1 412.512 0.347 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(C(=O)c3ccc(OC)cc3)CC2)co1 ZINC000534404408 1074614207 /nfs/dbraw/zinc/61/42/07/1074614207.db2.gz UMYQTKUNEBTBQF-UHFFFAOYSA-N -1 1 407.448 0.795 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)co1 ZINC000534405369 1074613582 /nfs/dbraw/zinc/61/35/82/1074613582.db2.gz LZECJGGYQHFQNH-UHFFFAOYSA-N -1 1 401.466 0.368 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)co1 ZINC000534414115 1074611388 /nfs/dbraw/zinc/61/13/88/1074611388.db2.gz BJRPPDJIWRVMHP-UHFFFAOYSA-N -1 1 412.468 0.562 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)co1 ZINC000534414416 1074611307 /nfs/dbraw/zinc/61/13/07/1074611307.db2.gz YSUFLAHUFXNVRC-UHFFFAOYSA-N -1 1 413.477 0.334 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)co1 ZINC000534416036 1074611822 /nfs/dbraw/zinc/61/18/22/1074611822.db2.gz NSECRQAXURCKRB-UHFFFAOYSA-N -1 1 421.475 0.917 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(C(=O)c3cccc(OC)c3)CC2)co1 ZINC000534416913 1074611795 /nfs/dbraw/zinc/61/17/95/1074611795.db2.gz XEDGZKFTBAYNEQ-UHFFFAOYSA-N -1 1 407.448 0.795 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCOCC2)co1 ZINC000534417222 1074611908 /nfs/dbraw/zinc/61/19/08/1074611908.db2.gz TWLAYZYRENENSJ-KRWDZBQOSA-N -1 1 423.491 1.000 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCOCC2)co1 ZINC000534417223 1074611698 /nfs/dbraw/zinc/61/16/98/1074611698.db2.gz TWLAYZYRENENSJ-QGZVFWFLSA-N -1 1 423.491 1.000 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](CO)Cc2cc(OC)cc(OC)c2)co1 ZINC000534417803 1074612305 /nfs/dbraw/zinc/61/23/05/1074612305.db2.gz PJPVCZCBQWKHLL-CYBMUJFWSA-N -1 1 412.464 0.786 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](CO)Cc2cc(OC)cc(OC)c2)co1 ZINC000534417804 1074612410 /nfs/dbraw/zinc/61/24/10/1074612410.db2.gz PJPVCZCBQWKHLL-ZDUSSCGKSA-N -1 1 412.464 0.786 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCOc2ccc(S(C)(=O)=O)cc2)co1 ZINC000534418254 1074611891 /nfs/dbraw/zinc/61/18/91/1074611891.db2.gz YEPZCHAXAMYMAR-UHFFFAOYSA-N -1 1 402.450 0.400 20 0 HCADMM CCN(CC)C(=O)CN1CCCN(C(=O)c2coc(S(=O)(=O)[N-]C)c2)CC1 ZINC000534420742 1074622374 /nfs/dbraw/zinc/62/23/74/1074622374.db2.gz HMPRBASUHPUSPZ-UHFFFAOYSA-N -1 1 400.501 0.204 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCCCN2C(=O)c3ccccc3C2=O)co1 ZINC000534421107 1074622531 /nfs/dbraw/zinc/62/25/31/1074622531.db2.gz IVAYLPKMIKGFSO-UHFFFAOYSA-N -1 1 405.432 0.994 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)N(CCCN2CCOCC2)Cc2ccncc2)co1 ZINC000534421258 1074622502 /nfs/dbraw/zinc/62/25/02/1074622502.db2.gz WKZUZKUQWMEYTC-UHFFFAOYSA-N -1 1 422.507 0.947 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)co1 ZINC000534424727 1074623070 /nfs/dbraw/zinc/62/30/70/1074623070.db2.gz YLSVGWLAHGFMTA-HNNXBMFYSA-N -1 1 423.447 0.740 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)co1 ZINC000534424733 1074623076 /nfs/dbraw/zinc/62/30/76/1074623076.db2.gz YLSVGWLAHGFMTA-OAHLLOKOSA-N -1 1 423.447 0.740 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CSC[C@@H]2C(=O)N2CCSCC2)co1 ZINC000534424871 1074623055 /nfs/dbraw/zinc/62/30/55/1074623055.db2.gz HQKXTLRYHVZVOG-LLVKDONJSA-N -1 1 405.523 0.278 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CSC[C@H]2C(=O)N2CCSCC2)co1 ZINC000534424874 1074623062 /nfs/dbraw/zinc/62/30/62/1074623062.db2.gz HQKXTLRYHVZVOG-NSHDSACASA-N -1 1 405.523 0.278 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C(=O)N3CCOCC3)ccc2OC)co1 ZINC000534425011 1074623025 /nfs/dbraw/zinc/62/30/25/1074623025.db2.gz ATQZHPXIXOXJEV-UHFFFAOYSA-N -1 1 423.447 0.921 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)co1 ZINC000534425338 1074623098 /nfs/dbraw/zinc/62/30/98/1074623098.db2.gz GBXLUXDDSHMXOP-GFCCVEGCSA-N -1 1 416.253 0.907 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C(N)=O)c2cccc(Br)c2)co1 ZINC000534425339 1074623045 /nfs/dbraw/zinc/62/30/45/1074623045.db2.gz GBXLUXDDSHMXOP-LBPRGKRZSA-N -1 1 416.253 0.907 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)co1 ZINC000534426181 1074615351 /nfs/dbraw/zinc/61/53/51/1074615351.db2.gz VEDYTSQYVVIFAT-UHFFFAOYSA-N -1 1 407.448 0.590 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(Cc3nccn3C(F)F)CC2)co1 ZINC000534426878 1074615318 /nfs/dbraw/zinc/61/53/18/1074615318.db2.gz PGBVLGCNLUXONO-UHFFFAOYSA-N -1 1 403.411 0.737 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(C(=O)COc3ccc(C)cc3)CC2)co1 ZINC000534427211 1074615375 /nfs/dbraw/zinc/61/53/75/1074615375.db2.gz YMOZUPLGFRSBAX-UHFFFAOYSA-N -1 1 421.475 0.860 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(CC(=O)Nc3ccccc3F)CC2)co1 ZINC000534447341 1074625156 /nfs/dbraw/zinc/62/51/56/1074625156.db2.gz GBGDRIXAQPZVTP-UHFFFAOYSA-N -1 1 424.454 0.723 20 0 HCADMM CCOc1ccnc(N2CCCN(C(=O)c3coc(S(=O)(=O)[N-]C)c3)CC2)n1 ZINC000534450979 1074625753 /nfs/dbraw/zinc/62/57/53/1074625753.db2.gz IQEJDEBDIXOITF-UHFFFAOYSA-N -1 1 409.468 0.729 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCNS(=O)(=O)c2cc(C)sc2C)co1 ZINC000534453630 1074624658 /nfs/dbraw/zinc/62/46/58/1074624658.db2.gz NZSMWJNCOXKMIC-UHFFFAOYSA-N -1 1 421.522 0.574 20 0 HCADMM C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)c1ccc(-n2ccnn2)cc1 ZINC000534465555 1074627396 /nfs/dbraw/zinc/62/73/96/1074627396.db2.gz PMQBETUOTAMTPA-LLVKDONJSA-N -1 1 418.435 0.115 20 0 HCADMM C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)c1ccc(-n2ccnn2)cc1 ZINC000534465556 1074627360 /nfs/dbraw/zinc/62/73/60/1074627360.db2.gz PMQBETUOTAMTPA-NSHDSACASA-N -1 1 418.435 0.115 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)co1 ZINC000534480582 1074629417 /nfs/dbraw/zinc/62/94/17/1074629417.db2.gz NDZRQZFHUVXNRE-UHFFFAOYSA-N -1 1 406.464 0.266 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC(C(=O)NCCCOC(C)C)CC2)co1 ZINC000534481904 1074630111 /nfs/dbraw/zinc/63/01/11/1074630111.db2.gz KSCAEKPRIYQURL-UHFFFAOYSA-N -1 1 415.512 0.971 20 0 HCADMM CCNS(=O)(=O)c1ccc(CNC(=O)c2coc(S(=O)(=O)[N-]C)c2)cc1 ZINC000534493615 1074632037 /nfs/dbraw/zinc/63/20/37/1074632037.db2.gz FTNDNIIEYPEWJP-UHFFFAOYSA-N -1 1 401.466 0.416 20 0 HCADMM CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000534511921 1074640610 /nfs/dbraw/zinc/64/06/10/1074640610.db2.gz IAXCAIWLOCCPJB-SECBINFHSA-N -1 1 402.491 0.299 20 0 HCADMM CCS(=O)(=O)C[C@H](C)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000534511924 1074640575 /nfs/dbraw/zinc/64/05/75/1074640575.db2.gz IAXCAIWLOCCPJB-VIFPVBQESA-N -1 1 402.491 0.299 20 0 HCADMM O=S(=O)([N-]CCN1CCN(c2ncccn2)CC1)c1cc(F)c(F)cc1F ZINC000534525114 1074645258 /nfs/dbraw/zinc/64/52/58/1074645258.db2.gz ZMJHWLYPNFOTHZ-UHFFFAOYSA-N -1 1 401.414 0.994 20 0 HCADMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])[C@@H]1CCc2n[nH]cc2C1 ZINC000534580691 1074655779 /nfs/dbraw/zinc/65/57/79/1074655779.db2.gz MZBMZQCCEOAWQQ-GFCCVEGCSA-N -1 1 406.464 0.880 20 0 HCADMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])[C@H]1CCc2n[nH]cc2C1 ZINC000534580692 1074655799 /nfs/dbraw/zinc/65/57/99/1074655799.db2.gz MZBMZQCCEOAWQQ-LBPRGKRZSA-N -1 1 406.464 0.880 20 0 HCADMM CCOC(=O)CC1(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CCCCC1 ZINC000534603904 1074660340 /nfs/dbraw/zinc/66/03/40/1074660340.db2.gz FDONVZBGFBSRKG-UHFFFAOYSA-N -1 1 401.485 0.266 20 0 HCADMM Cn1cc(S(=O)(=O)[N-][C@H](CO)c2ccc(C(F)(F)F)cc2)c(=O)n(C)c1=O ZINC000534629725 1074668403 /nfs/dbraw/zinc/66/84/03/1074668403.db2.gz REVFCAQTEYCSMO-LLVKDONJSA-N -1 1 407.370 0.115 20 0 HCADMM CCS(=O)(=O)NCCS(=O)(=O)[N-][C@@H](C(=O)OC)c1ccc(Cl)c(F)c1 ZINC000534631230 1074668261 /nfs/dbraw/zinc/66/82/61/1074668261.db2.gz CVYBFOSZFFKTBW-GFCCVEGCSA-N -1 1 416.880 0.552 20 0 HCADMM CCS(=O)(=O)NCCS(=O)(=O)[N-][C@H](C(=O)OC)c1ccc(Cl)c(F)c1 ZINC000534631231 1074668378 /nfs/dbraw/zinc/66/83/78/1074668378.db2.gz CVYBFOSZFFKTBW-LBPRGKRZSA-N -1 1 416.880 0.552 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc(Br)ccc2O)o1 ZINC000534701787 1074678714 /nfs/dbraw/zinc/67/87/14/1074678714.db2.gz YJTDBRMWEYWJSG-UHFFFAOYSA-N -1 1 418.225 0.764 20 0 HCADMM CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)N(CCN(C)C)CC(=O)[O-])ccc2O1 ZINC000534760624 1074702442 /nfs/dbraw/zinc/70/24/42/1074702442.db2.gz MAXHWXXEFQXVLE-HNNXBMFYSA-N -1 1 400.453 0.190 20 0 HCADMM CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)N(CCN(C)C)CC(=O)[O-])ccc2O1 ZINC000534760625 1074702556 /nfs/dbraw/zinc/70/25/56/1074702556.db2.gz MAXHWXXEFQXVLE-OAHLLOKOSA-N -1 1 400.453 0.190 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCc3c4ccccc4[nH]c3C2)o1 ZINC000534782366 1074702896 /nfs/dbraw/zinc/70/28/96/1074702896.db2.gz COGIXBARINNCQE-UHFFFAOYSA-N -1 1 402.432 0.723 20 0 HCADMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br ZINC000534783206 1074702766 /nfs/dbraw/zinc/70/27/66/1074702766.db2.gz MGOKCWBAZMEAGZ-UHFFFAOYSA-N -1 1 421.273 0.668 20 0 HCADMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)c1cccc(I)c1 ZINC000534784740 1074702982 /nfs/dbraw/zinc/70/29/82/1074702982.db2.gz KOAMBLHSDWCYIR-UHFFFAOYSA-N -1 1 412.249 0.928 20 0 HCADMM Cc1cc(C(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000534785947 1074703680 /nfs/dbraw/zinc/70/36/80/1074703680.db2.gz KCFVDQLFHSYFQL-LBPRGKRZSA-N -1 1 404.471 0.567 20 0 HCADMM O=C(CO)N1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000534797732 1074706249 /nfs/dbraw/zinc/70/62/49/1074706249.db2.gz CTKWVKISEDIMHC-UHFFFAOYSA-N -1 1 421.450 0.903 20 0 HCADMM O=C(CCCN1C(=O)CNC1=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000534802516 1074706587 /nfs/dbraw/zinc/70/65/87/1074706587.db2.gz IYARGMPXKPWPIJ-UHFFFAOYSA-N -1 1 410.452 0.447 20 0 HCADMM CC(C)(C)C(=O)NCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000534803998 1074707602 /nfs/dbraw/zinc/70/76/02/1074707602.db2.gz ILYMHURNXDGLTQ-UHFFFAOYSA-N -1 1 413.496 0.904 20 0 HCADMM CN1CC[C@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]1c1ccc(Cl)cc1 ZINC000534816636 1074705769 /nfs/dbraw/zinc/70/57/69/1074705769.db2.gz MFEFKIMYJMREEN-DZGCQCFKSA-N -1 1 412.899 0.461 20 0 HCADMM CN1CC[C@@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H]1c1ccc(Cl)cc1 ZINC000534816637 1074706268 /nfs/dbraw/zinc/70/62/68/1074706268.db2.gz MFEFKIMYJMREEN-HIFRSBDPSA-N -1 1 412.899 0.461 20 0 HCADMM CN1CC[C@@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]1c1ccc(Cl)cc1 ZINC000534816701 1074705590 /nfs/dbraw/zinc/70/55/90/1074705590.db2.gz MFEFKIMYJMREEN-UKRRQHHQSA-N -1 1 412.899 0.461 20 0 HCADMM CN1CC[C@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H]1c1ccc(Cl)cc1 ZINC000534816702 1074705485 /nfs/dbraw/zinc/70/54/85/1074705485.db2.gz MFEFKIMYJMREEN-ZFWWWQNUSA-N -1 1 412.899 0.461 20 0 HCADMM CC[C@H]1CN(Cc2nc(=O)c3c(CC(=O)OC)c(C(=O)OC)sc3[n-]2)C[C@H]1O ZINC000534863340 1074727620 /nfs/dbraw/zinc/72/76/20/1074727620.db2.gz HJWBMRSYOUPZNS-GXSJLCMTSA-N -1 1 409.464 0.689 20 0 HCADMM CC[C@@H]1CN(Cc2nc(=O)c3c(CC(=O)OC)c(C(=O)OC)sc3[n-]2)C[C@@H]1O ZINC000534863341 1074727816 /nfs/dbraw/zinc/72/78/16/1074727816.db2.gz HJWBMRSYOUPZNS-KOLCDFICSA-N -1 1 409.464 0.689 20 0 HCADMM CC[C@@H]1CN(Cc2nc(=O)c3c(CC(=O)OC)c(C(=O)OC)sc3[n-]2)C[C@H]1O ZINC000534863342 1074727882 /nfs/dbraw/zinc/72/78/82/1074727882.db2.gz HJWBMRSYOUPZNS-MWLCHTKSSA-N -1 1 409.464 0.689 20 0 HCADMM CC[C@H]1CN(Cc2nc(=O)c3c(CC(=O)OC)c(C(=O)OC)sc3[n-]2)C[C@@H]1O ZINC000534863343 1074727704 /nfs/dbraw/zinc/72/77/04/1074727704.db2.gz HJWBMRSYOUPZNS-ONGXEEELSA-N -1 1 409.464 0.689 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC(C)(C)C(=O)NC)c(OC)c1 ZINC000534867451 1074723511 /nfs/dbraw/zinc/72/35/11/1074723511.db2.gz BLKDTFOJNIIIDF-UHFFFAOYSA-N -1 1 421.541 0.897 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CC(=O)N(C)C2)c(OC)c1 ZINC000534872368 1074723862 /nfs/dbraw/zinc/72/38/62/1074723862.db2.gz OODLURUMZXIXSB-GFCCVEGCSA-N -1 1 405.498 0.356 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2CC(=O)N(C)C2)c(OC)c1 ZINC000534872369 1074724060 /nfs/dbraw/zinc/72/40/60/1074724060.db2.gz OODLURUMZXIXSB-LBPRGKRZSA-N -1 1 405.498 0.356 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC(C)(C)C(=O)N(C)C)c(OC)c1 ZINC000534872929 1074724520 /nfs/dbraw/zinc/72/45/20/1074724520.db2.gz BNCHBVVSBWNVKE-UHFFFAOYSA-N -1 1 421.541 0.992 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCN2CCOCC2)c(OC)c1 ZINC000534883535 1074730249 /nfs/dbraw/zinc/73/02/49/1074730249.db2.gz WXRRQZUCVXNYJU-UHFFFAOYSA-N -1 1 421.541 0.457 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)c(OC)c1 ZINC000534883555 1074730166 /nfs/dbraw/zinc/73/01/66/1074730166.db2.gz XUYXUTHJWATUQR-UHFFFAOYSA-N -1 1 419.525 0.733 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCCNC(C)=O)c(OC)c1 ZINC000534883633 1074730277 /nfs/dbraw/zinc/73/02/77/1074730277.db2.gz DMVYVBSYADIRJM-UHFFFAOYSA-N -1 1 407.514 0.651 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCc2nncn2C)c(OC)c1 ZINC000534883833 1074730214 /nfs/dbraw/zinc/73/02/14/1074730214.db2.gz QJIJCXJYQVKLQO-UHFFFAOYSA-N -1 1 403.486 0.454 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC2(CC(N)=O)CCC2)c(OC)c1 ZINC000534899402 1074731983 /nfs/dbraw/zinc/73/19/83/1074731983.db2.gz KWPQGDSJXMBTBY-UHFFFAOYSA-N -1 1 419.525 0.923 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC(OCCOC)C2)c(OC)c1 ZINC000534903155 1074733439 /nfs/dbraw/zinc/73/34/39/1074733439.db2.gz SSDYJBWPHNIXLL-UHFFFAOYSA-N -1 1 422.525 0.883 20 0 HCADMM COC(=O)[C@@H](CC(F)F)[N-]S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000534906851 1074733569 /nfs/dbraw/zinc/73/35/69/1074733569.db2.gz NLPJVADRSZSQSI-LLVKDONJSA-N -1 1 400.425 0.081 20 0 HCADMM COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)CCNS(=O)(=O)c1ccccc1 ZINC000534906852 1074733458 /nfs/dbraw/zinc/73/34/58/1074733458.db2.gz NLPJVADRSZSQSI-NSHDSACASA-N -1 1 400.425 0.081 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCO[C@H](COC)C2)c(OC)c1 ZINC000534913437 1074734260 /nfs/dbraw/zinc/73/42/60/1074734260.db2.gz RVDXHSUWIXJVSI-AWEZNQCLSA-N -1 1 422.525 0.883 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCO[C@@H](COC)C2)c(OC)c1 ZINC000534913438 1074734206 /nfs/dbraw/zinc/73/42/06/1074734206.db2.gz RVDXHSUWIXJVSI-CQSZACIVSA-N -1 1 422.525 0.883 20 0 HCADMM O=C(c1ccc(S(=O)(=O)[N-]c2cccc(-n3cnnn3)c2)cc1)N1CCOCC1 ZINC000534943033 1074738732 /nfs/dbraw/zinc/73/87/32/1074738732.db2.gz HCDBFTSHZQETBV-UHFFFAOYSA-N -1 1 414.447 0.936 20 0 HCADMM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)c1 ZINC000534943667 1074738778 /nfs/dbraw/zinc/73/87/78/1074738778.db2.gz IGKQWHDPSVREER-UHFFFAOYSA-N -1 1 408.367 0.761 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H](NC(N)=O)C2)c(OC)c1 ZINC000534978860 1074741640 /nfs/dbraw/zinc/74/16/40/1074741640.db2.gz UKBXPYULILWDFF-GFCCVEGCSA-N -1 1 420.513 0.278 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H](NC(N)=O)C2)c(OC)c1 ZINC000534978863 1074741709 /nfs/dbraw/zinc/74/17/09/1074741709.db2.gz UKBXPYULILWDFF-LBPRGKRZSA-N -1 1 420.513 0.278 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccccc2N2CCN(C(C)=O)CC2)co1 ZINC000535127749 1074756927 /nfs/dbraw/zinc/75/69/27/1074756927.db2.gz PBADZTOSAUESCR-UHFFFAOYSA-N -1 1 420.491 0.786 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCN(Cc3ccc(OC)cc3)C2=O)co1 ZINC000535129442 1074757464 /nfs/dbraw/zinc/75/74/64/1074757464.db2.gz MCVOGNZXUJBHEE-HNNXBMFYSA-N -1 1 407.448 0.727 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCN(Cc3ccc(OC)cc3)C2=O)co1 ZINC000535129460 1074757374 /nfs/dbraw/zinc/75/73/74/1074757374.db2.gz MCVOGNZXUJBHEE-OAHLLOKOSA-N -1 1 407.448 0.727 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(Cc3noc(C(C)(C)C)n3)CC2)co1 ZINC000535130999 1074757430 /nfs/dbraw/zinc/75/74/30/1074757430.db2.gz VLDPIVCFWFLUIJ-UHFFFAOYSA-N -1 1 411.484 0.826 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCCS(=O)(=O)Cc2ccccc2)co1 ZINC000535138671 1074758384 /nfs/dbraw/zinc/75/83/84/1074758384.db2.gz UACOODHYYGIOMD-UHFFFAOYSA-N -1 1 400.478 0.923 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)co1 ZINC000535138763 1074758238 /nfs/dbraw/zinc/75/82/38/1074758238.db2.gz UWYRQPMSHRHLCT-UHFFFAOYSA-N -1 1 407.448 0.841 20 0 HCADMM CCOc1ccc(Cl)cc1CC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000535140106 1074758297 /nfs/dbraw/zinc/75/82/97/1074758297.db2.gz CDIIDIBABVDMKS-UHFFFAOYSA-N -1 1 401.872 0.657 20 0 HCADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC2CCS(=O)(=O)CC2)c(F)c1 ZINC000535142713 1074758610 /nfs/dbraw/zinc/75/86/10/1074758610.db2.gz MSMAVCYUNSUZKP-UHFFFAOYSA-N -1 1 414.502 0.300 20 0 HCADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@H](CO)Cc2ccco2)c(F)c1 ZINC000535142981 1074758684 /nfs/dbraw/zinc/75/86/84/1074758684.db2.gz OXPPSIRBPJWQTO-LLVKDONJSA-N -1 1 406.457 0.920 20 0 HCADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@H](CO)Cc2ccco2)c(F)c1 ZINC000535142984 1074758702 /nfs/dbraw/zinc/75/87/02/1074758702.db2.gz OXPPSIRBPJWQTO-NSHDSACASA-N -1 1 406.457 0.920 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C(=O)OC)cc(S(C)(=O)=O)c2)co1 ZINC000535144567 1074759065 /nfs/dbraw/zinc/75/90/65/1074759065.db2.gz YBALCXYQKQGPGD-UHFFFAOYSA-N -1 1 416.433 0.630 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2ccccc2S(=O)(=O)N(C)C)co1 ZINC000535146432 1074759391 /nfs/dbraw/zinc/75/93/91/1074759391.db2.gz FPCGEUTVJPYUGT-UHFFFAOYSA-N -1 1 401.466 0.368 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)co1 ZINC000535149948 1074759572 /nfs/dbraw/zinc/75/95/72/1074759572.db2.gz UKROJTJPCIBYJS-CYBMUJFWSA-N -1 1 423.447 0.242 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)co1 ZINC000535149954 1074759648 /nfs/dbraw/zinc/75/96/48/1074759648.db2.gz UKROJTJPCIBYJS-ZDUSSCGKSA-N -1 1 423.447 0.242 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)co1 ZINC000535151944 1074762127 /nfs/dbraw/zinc/76/21/27/1074762127.db2.gz BDZHVRCXTWTOTN-UHFFFAOYSA-N -1 1 422.463 0.711 20 0 HCADMM CCOCCCNC(=O)C1CCN(C(=O)c2coc(S(=O)(=O)[N-]C)c2)CC1 ZINC000535157878 1074759967 /nfs/dbraw/zinc/75/99/67/1074759967.db2.gz SBAFQBOVWGYJMS-UHFFFAOYSA-N -1 1 401.485 0.583 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCNS(=O)(=O)c2ccc(C)s2)co1 ZINC000535187998 1074763293 /nfs/dbraw/zinc/76/32/93/1074763293.db2.gz XOOOCTFDAVZQAJ-UHFFFAOYSA-N -1 1 407.495 0.266 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](Cc2ccccc2OC)C(=O)OC)co1 ZINC000535201832 1074764600 /nfs/dbraw/zinc/76/46/00/1074764600.db2.gz OAGCHNJTYSRBNQ-CYBMUJFWSA-N -1 1 410.448 0.958 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](Cc2ccccc2OC)C(=O)OC)co1 ZINC000535201833 1074764684 /nfs/dbraw/zinc/76/46/84/1074764684.db2.gz OAGCHNJTYSRBNQ-ZDUSSCGKSA-N -1 1 410.448 0.958 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)co1 ZINC000535203847 1074765310 /nfs/dbraw/zinc/76/53/10/1074765310.db2.gz ALVUAUPZRBWBBY-UHFFFAOYSA-N -1 1 417.447 0.662 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)co1 ZINC000535204255 1074765804 /nfs/dbraw/zinc/76/58/04/1074765804.db2.gz DNZJZXSTLCUJCC-UHFFFAOYSA-N -1 1 421.884 0.549 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2O)co1 ZINC000535205202 1074765630 /nfs/dbraw/zinc/76/56/30/1074765630.db2.gz JRGJHRNBZQIKOP-UHFFFAOYSA-N -1 1 415.449 0.686 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)NCC(=O)Nc2ccc(-n3cncn3)cc2)co1 ZINC000535215708 1074767594 /nfs/dbraw/zinc/76/75/94/1074767594.db2.gz XLVIUBOYOPCYKB-UHFFFAOYSA-N -1 1 404.408 0.137 20 0 HCADMM CCOC(=O)C1CCN(C(=O)CN(C)C(=O)c2coc(S(=O)(=O)[N-]C)c2)CC1 ZINC000535216414 1074767471 /nfs/dbraw/zinc/76/74/71/1074767471.db2.gz PRVXCQFCVXGRAR-UHFFFAOYSA-N -1 1 415.468 0.061 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)CC(=O)Nc2cc(OC)cc(OC)c2)co1 ZINC000535229456 1074766503 /nfs/dbraw/zinc/76/65/03/1074766503.db2.gz NIZNAJKJNOBARF-UHFFFAOYSA-N -1 1 411.436 0.916 20 0 HCADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](CS(C)(=O)=O)c1ccccc1 ZINC000535245366 1074771203 /nfs/dbraw/zinc/77/12/03/1074771203.db2.gz CWUSXBYEAMNYBO-CYBMUJFWSA-N -1 1 401.466 0.651 20 0 HCADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](CS(C)(=O)=O)c1ccccc1 ZINC000535245373 1074771124 /nfs/dbraw/zinc/77/11/24/1074771124.db2.gz CWUSXBYEAMNYBO-ZDUSSCGKSA-N -1 1 401.466 0.651 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccsc3)CC2)o1 ZINC000535263883 1074774673 /nfs/dbraw/zinc/77/46/73/1074774673.db2.gz CFBXXUPIHWMOAG-UHFFFAOYSA-N -1 1 412.493 0.063 20 0 HCADMM O=C(C[C@@H]1NC(=O)NC1=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000535323450 1074784741 /nfs/dbraw/zinc/78/47/41/1074784741.db2.gz ZVFPWIJUYVCHMZ-HNNXBMFYSA-N -1 1 402.432 0.702 20 0 HCADMM COC(=O)[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(Cl)c(F)c1 ZINC000535359052 1074792863 /nfs/dbraw/zinc/79/28/63/1074792863.db2.gz CNFHHPYKBSDUOF-GFCCVEGCSA-N -1 1 419.818 0.069 20 0 HCADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(Cl)c(F)c1 ZINC000535359053 1074792732 /nfs/dbraw/zinc/79/27/32/1074792732.db2.gz CNFHHPYKBSDUOF-LBPRGKRZSA-N -1 1 419.818 0.069 20 0 HCADMM CS(=O)(=O)c1nnc(NC(=O)c2ccc(Br)cc2-n2cncn2)[n-]1 ZINC000535473871 1074809830 /nfs/dbraw/zinc/80/98/30/1074809830.db2.gz GOMFCVBANCDZJM-UHFFFAOYSA-N -1 1 412.229 0.804 20 0 HCADMM CS(=O)(=O)c1n[n-]c(NC(=O)c2ccc(Br)cc2-n2cncn2)n1 ZINC000535473871 1074809824 /nfs/dbraw/zinc/80/98/24/1074809824.db2.gz GOMFCVBANCDZJM-UHFFFAOYSA-N -1 1 412.229 0.804 20 0 HCADMM COc1ccc(C[C@@H](C)CNC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)cc1 ZINC000535482463 1074809402 /nfs/dbraw/zinc/80/94/02/1074809402.db2.gz BDNZZKFSKNJIIN-GFCCVEGCSA-N -1 1 409.464 0.660 20 0 HCADMM COc1ccc(C[C@H](C)CNC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)cc1 ZINC000535482464 1074809414 /nfs/dbraw/zinc/80/94/14/1074809414.db2.gz BDNZZKFSKNJIIN-LBPRGKRZSA-N -1 1 409.464 0.660 20 0 HCADMM COC(=O)c1cc(Br)cc(S(=O)(=O)N(CCN(C)C)CC(=O)[O-])c1 ZINC000535497982 1074810519 /nfs/dbraw/zinc/81/05/19/1074810519.db2.gz AQDCPPNXVPVKCL-UHFFFAOYSA-N -1 1 423.285 0.873 20 0 HCADMM CN1CC(=O)N(CCCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2[O-])C1=O ZINC000535504477 1074813576 /nfs/dbraw/zinc/81/35/76/1074813576.db2.gz VFAOQEZZBQNUSF-UHFFFAOYSA-N -1 1 424.479 0.789 20 0 HCADMM CC[C@@H](C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])N1CCCC1=O ZINC000535517117 1074815420 /nfs/dbraw/zinc/81/54/20/1074815420.db2.gz XQZZZADRPISXLL-HNNXBMFYSA-N -1 1 411.480 0.753 20 0 HCADMM CC[C@H](C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])N1CCCC1=O ZINC000535517127 1074815386 /nfs/dbraw/zinc/81/53/86/1074815386.db2.gz XQZZZADRPISXLL-OAHLLOKOSA-N -1 1 411.480 0.753 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC2(CO)COC2)c(OC)c1 ZINC000535580683 1075304895 /nfs/dbraw/zinc/30/48/95/1075304895.db2.gz UBDUWGFGFUJMTJ-UHFFFAOYSA-N -1 1 408.498 0.134 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)CCCC(=O)NC)c(OC)c1 ZINC000535581429 1075304340 /nfs/dbraw/zinc/30/43/40/1075304340.db2.gz YBLOETZLHRPZDH-UHFFFAOYSA-N -1 1 421.541 0.994 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2CC)c(OC)c1 ZINC000535584391 1075305340 /nfs/dbraw/zinc/30/53/40/1075305340.db2.gz LYSGCAZAKZLNFQ-CYBMUJFWSA-N -1 1 419.525 0.746 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCNC(=O)[C@@H]2CC)c(OC)c1 ZINC000535584392 1075305362 /nfs/dbraw/zinc/30/53/62/1075305362.db2.gz LYSGCAZAKZLNFQ-ZDUSSCGKSA-N -1 1 419.525 0.746 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCNC(=O)[C@H]2C)c(OC)c1 ZINC000535585408 1075305700 /nfs/dbraw/zinc/30/57/00/1075305700.db2.gz QMQSWDNASGBUAA-LLVKDONJSA-N -1 1 405.498 0.356 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCNC(=O)[C@@H]2C)c(OC)c1 ZINC000535585409 1075305778 /nfs/dbraw/zinc/30/57/78/1075305778.db2.gz QMQSWDNASGBUAA-NSHDSACASA-N -1 1 405.498 0.356 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c(OC)c1 ZINC000535593098 1075308536 /nfs/dbraw/zinc/30/85/36/1075308536.db2.gz YUAZLNRVBHBZTD-UHFFFAOYSA-N -1 1 419.525 0.700 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)CCC(=O)NC)c(OC)c1 ZINC000535593740 1075308883 /nfs/dbraw/zinc/30/88/83/1075308883.db2.gz FTIOMXMKOFKHQT-UHFFFAOYSA-N -1 1 407.514 0.604 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@H]2COCCO2)c(OC)c1 ZINC000535594291 1075308635 /nfs/dbraw/zinc/30/86/35/1075308635.db2.gz QSELEQKLSUQWJX-CYBMUJFWSA-N -1 1 408.498 0.541 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@H]2COCCO2)c(OC)c1 ZINC000535594292 1075308558 /nfs/dbraw/zinc/30/85/58/1075308558.db2.gz QSELEQKLSUQWJX-ZDUSSCGKSA-N -1 1 408.498 0.541 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(CC(N)=O)CC(C)C)c(OC)c1 ZINC000535594851 1075308899 /nfs/dbraw/zinc/30/88/99/1075308899.db2.gz HPHSAAMBWCBUHJ-UHFFFAOYSA-N -1 1 421.541 0.979 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC(=O)NC(C)C)c(OC)c1 ZINC000535595442 1075308954 /nfs/dbraw/zinc/30/89/54/1075308954.db2.gz XONPTEGXMDQOLR-UHFFFAOYSA-N -1 1 407.514 0.650 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)CC(=O)NC2CC2)c(OC)c1 ZINC000535595598 1075309345 /nfs/dbraw/zinc/30/93/45/1075309345.db2.gz GKHPKOGCRUPLKQ-UHFFFAOYSA-N -1 1 419.525 0.746 20 0 HCADMM Cc1nn(C)c2c1N(S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)CCO2 ZINC000539420686 1075315817 /nfs/dbraw/zinc/31/58/17/1075315817.db2.gz XWTPCMNWOGAQNW-UHFFFAOYSA-N -1 1 404.445 0.827 20 0 HCADMM CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000539434746 1075322946 /nfs/dbraw/zinc/32/29/46/1075322946.db2.gz VLIPKNSLIHHVGT-HWPZZCPQSA-N -1 1 413.427 0.688 20 0 HCADMM CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000539434753 1075322836 /nfs/dbraw/zinc/32/28/36/1075322836.db2.gz VLIPKNSLIHHVGT-MGPLVRAMSA-N -1 1 413.427 0.688 20 0 HCADMM CO[C@H](c1ccccc1F)[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000539434755 1075322929 /nfs/dbraw/zinc/32/29/29/1075322929.db2.gz VLIPKNSLIHHVGT-QFYYESIMSA-N -1 1 413.427 0.688 20 0 HCADMM CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000539434757 1075322900 /nfs/dbraw/zinc/32/29/00/1075322900.db2.gz VLIPKNSLIHHVGT-QLJPJBMISA-N -1 1 413.427 0.688 20 0 HCADMM CN1CCN(C(=O)c2cc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)ccn2)CC1 ZINC000539467613 1075335991 /nfs/dbraw/zinc/33/59/91/1075335991.db2.gz QCOSBOUTICVPJB-UHFFFAOYSA-N -1 1 418.475 0.463 20 0 HCADMM COc1ccc(NC(=O)c2cc(S(N)(=O)=O)oc2C)cc1[N-]S(C)(=O)=O ZINC000539501159 1075349419 /nfs/dbraw/zinc/34/94/19/1075349419.db2.gz VYIBXOFSFWSFHX-UHFFFAOYSA-N -1 1 403.438 0.868 20 0 HCADMM COc1cc(NC(=O)c2ccc(S(N)(=O)=O)nc2)ccc1[N-]S(C)(=O)=O ZINC000539502457 1075350537 /nfs/dbraw/zinc/35/05/37/1075350537.db2.gz CMVOWYNIVYSPIP-UHFFFAOYSA-N -1 1 400.438 0.361 20 0 HCADMM NS(=O)(=O)c1ccc(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2[O-])cc1 ZINC000539525994 1075365816 /nfs/dbraw/zinc/36/58/16/1075365816.db2.gz ULOQQEFKCOLDEO-UHFFFAOYSA-N -1 1 411.461 0.733 20 0 HCADMM COc1ccc(NC(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1[N-]S(C)(=O)=O ZINC000539535326 1075369508 /nfs/dbraw/zinc/36/95/08/1075369508.db2.gz LKSCDATTZWUHQM-NSHDSACASA-N -1 1 420.513 0.564 20 0 HCADMM COc1cnc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccn(C)n3)cc2)nc1 ZINC000539552799 1075376637 /nfs/dbraw/zinc/37/66/37/1075376637.db2.gz MOPTZXUYXQZKNG-UHFFFAOYSA-N -1 1 424.464 0.820 20 0 HCADMM CN(C)CCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cncc(F)c2)cc1 ZINC000539552994 1075376503 /nfs/dbraw/zinc/37/65/03/1075376503.db2.gz HMJXWADKKVHYJE-UHFFFAOYSA-N -1 1 402.473 0.861 20 0 HCADMM COc1cnc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccnn3C)cc2)nc1 ZINC000539553681 1075377384 /nfs/dbraw/zinc/37/73/84/1075377384.db2.gz XRULPUHRSPUQDV-UHFFFAOYSA-N -1 1 424.464 0.820 20 0 HCADMM Cn1cc(S(=O)(=O)[N-]CCOCc2ccc(Cl)cc2Cl)c(=O)n(C)c1=O ZINC000539560606 1075375764 /nfs/dbraw/zinc/37/57/64/1075375764.db2.gz UQQVQPCJBPUWAF-UHFFFAOYSA-N -1 1 422.290 0.886 20 0 HCADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3ccc(S(N)(=O)=O)cc3)CC2)n1 ZINC000539590971 1075391326 /nfs/dbraw/zinc/39/13/26/1075391326.db2.gz OKRYTFHUSKYNAP-UHFFFAOYSA-N -1 1 407.452 0.649 20 0 HCADMM Cn1cc(S(=O)(=O)[N-]c2ncccc2I)cc1C(N)=O ZINC000539596820 1075388591 /nfs/dbraw/zinc/38/85/91/1075388591.db2.gz GYXZRVAFKVQOFL-UHFFFAOYSA-N -1 1 406.205 0.924 20 0 HCADMM Cn1cc(S(=O)(=O)[N-]c2cccc(-c3cn4cccnc4n3)c2)c(=O)n(C)c1=O ZINC000539598140 1075388679 /nfs/dbraw/zinc/38/86/79/1075388679.db2.gz DGGZPRNJIGXGIJ-UHFFFAOYSA-N -1 1 412.431 0.595 20 0 HCADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000539632053 1075402843 /nfs/dbraw/zinc/40/28/43/1075402843.db2.gz GRGYNOOEOJYPQZ-LBPRGKRZSA-N -1 1 405.480 0.587 20 0 HCADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000539632446 1075402788 /nfs/dbraw/zinc/40/27/88/1075402788.db2.gz GSGKECPWJHYWAD-LBPRGKRZSA-N -1 1 405.480 0.175 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](Cc3ccccc3)C2)o1 ZINC000539633203 1075404009 /nfs/dbraw/zinc/40/40/09/1075404009.db2.gz PFULYPGWRXPSIC-AWEZNQCLSA-N -1 1 407.448 0.127 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@H](Cc3ccccc3)C2)o1 ZINC000539633204 1075403986 /nfs/dbraw/zinc/40/39/86/1075403986.db2.gz PFULYPGWRXPSIC-CQSZACIVSA-N -1 1 407.448 0.127 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCOc3cc(F)ccc32)o1 ZINC000539699252 1075431532 /nfs/dbraw/zinc/43/15/32/1075431532.db2.gz KSBURYSHNUVCIU-GFCCVEGCSA-N -1 1 411.411 0.826 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCCOc3cc(F)ccc32)o1 ZINC000539699253 1075431598 /nfs/dbraw/zinc/43/15/98/1075431598.db2.gz KSBURYSHNUVCIU-LBPRGKRZSA-N -1 1 411.411 0.826 20 0 HCADMM COc1cc2c(cc1F)CN(C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)CC2 ZINC000539700767 1075435289 /nfs/dbraw/zinc/43/52/89/1075435289.db2.gz FBRWDSYJBQKSCJ-UHFFFAOYSA-N -1 1 411.411 0.389 20 0 HCADMM CCS(=O)(=O)N[C@@H](CCSC)C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000539704704 1075431995 /nfs/dbraw/zinc/43/19/95/1075431995.db2.gz MSJCQAJZVIUAPX-JTQLQIEISA-N -1 1 411.527 0.039 20 0 HCADMM CCS(=O)(=O)N[C@H](CCSC)C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000539704705 1075432121 /nfs/dbraw/zinc/43/21/21/1075432121.db2.gz MSJCQAJZVIUAPX-SNVBAGLBSA-N -1 1 411.527 0.039 20 0 HCADMM COc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000539705332 1075432519 /nfs/dbraw/zinc/43/25/19/1075432519.db2.gz FKEQFLWGOJCIRD-UHFFFAOYSA-N -1 1 400.434 0.704 20 0 HCADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)c1 ZINC000539705589 1075431909 /nfs/dbraw/zinc/43/19/09/1075431909.db2.gz JCZXXQIWLMEHSY-UHFFFAOYSA-N -1 1 418.431 0.744 20 0 HCADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2nc3ncc(Br)cn3n2)c1 ZINC000539705787 1075433029 /nfs/dbraw/zinc/43/30/29/1075433029.db2.gz PXVDNTHKTWZOGO-UHFFFAOYSA-N -1 1 413.213 0.492 20 0 HCADMM C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])C2=O ZINC000539706187 1075432967 /nfs/dbraw/zinc/43/29/67/1075432967.db2.gz VXTPWFPPFRXIEN-BMLIUANNSA-N -1 1 410.452 0.479 20 0 HCADMM C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])C2=O ZINC000539706188 1075433004 /nfs/dbraw/zinc/43/30/04/1075433004.db2.gz VXTPWFPPFRXIEN-BTDLBPIBSA-N -1 1 410.452 0.479 20 0 HCADMM C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])C2=O ZINC000539706189 1075432933 /nfs/dbraw/zinc/43/29/33/1075432933.db2.gz VXTPWFPPFRXIEN-DYZYQPBXSA-N -1 1 410.452 0.479 20 0 HCADMM C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])C2=O ZINC000539706190 1075432946 /nfs/dbraw/zinc/43/29/46/1075432946.db2.gz VXTPWFPPFRXIEN-QGHHPUGFSA-N -1 1 410.452 0.479 20 0 HCADMM Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])C2=O ZINC000539706230 1075433015 /nfs/dbraw/zinc/43/30/15/1075433015.db2.gz YTDLRTQCRDIPBX-JTQLQIEISA-N -1 1 403.416 0.971 20 0 HCADMM Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])C2=O ZINC000539706231 1075432989 /nfs/dbraw/zinc/43/29/89/1075432989.db2.gz YTDLRTQCRDIPBX-SNVBAGLBSA-N -1 1 403.416 0.971 20 0 HCADMM CS(=O)(=O)NCCc1ccc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])s1 ZINC000539706818 1075433340 /nfs/dbraw/zinc/43/33/40/1075433340.db2.gz DGLWRVLPVQEOMV-UHFFFAOYSA-N -1 1 419.506 0.445 20 0 HCADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@H]3CN(C)NC3=O)cc2)cc1 ZINC000539782934 1075460432 /nfs/dbraw/zinc/46/04/32/1075460432.db2.gz JIYXRIFUBARXGF-KRWDZBQOSA-N -1 1 418.475 0.961 20 0 HCADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N[C@@H]3CN(C)NC3=O)cc2)cc1 ZINC000539782935 1075460284 /nfs/dbraw/zinc/46/02/84/1075460284.db2.gz JIYXRIFUBARXGF-QGZVFWFLSA-N -1 1 418.475 0.961 20 0 HCADMM CN1C[C@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)C(=O)N1 ZINC000539783368 1075459844 /nfs/dbraw/zinc/45/98/44/1075459844.db2.gz VWENBYHKJCUSNX-HNNXBMFYSA-N -1 1 410.402 0.841 20 0 HCADMM CN1C[C@@H](NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)C(=O)N1 ZINC000539783369 1075459934 /nfs/dbraw/zinc/45/99/34/1075459934.db2.gz VWENBYHKJCUSNX-OAHLLOKOSA-N -1 1 410.402 0.841 20 0 HCADMM CN(C)S(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(-c3nn[nH]n3)c2)c1 ZINC000539803807 1075469268 /nfs/dbraw/zinc/46/92/68/1075469268.db2.gz RONMIXKLJPQUOB-UHFFFAOYSA-N -1 1 408.465 0.918 20 0 HCADMM CN(C)S(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc3n[nH]c(C(N)=O)c3c2)c1 ZINC000539807946 1075469813 /nfs/dbraw/zinc/46/98/13/1075469813.db2.gz WHZXXUUMELERLD-UHFFFAOYSA-N -1 1 423.476 0.713 20 0 HCADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 ZINC000539853302 1075494315 /nfs/dbraw/zinc/49/43/15/1075494315.db2.gz MEZODKPVUHSFLI-CYBMUJFWSA-N -1 1 419.415 0.945 20 0 HCADMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 ZINC000539853303 1075494253 /nfs/dbraw/zinc/49/42/53/1075494253.db2.gz MEZODKPVUHSFLI-ZDUSSCGKSA-N -1 1 419.415 0.945 20 0 HCADMM COc1ccc(CCNC(=O)c2nc3ccccc3c(=O)[n-]2)cc1S(N)(=O)=O ZINC000539853522 1075494334 /nfs/dbraw/zinc/49/43/34/1075494334.db2.gz GHBLPCFCQZVZBE-UHFFFAOYSA-N -1 1 402.432 0.552 20 0 HCADMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C[C@@H]3NC(=O)NC3=O)cc2)cc1 ZINC000539853780 1075494291 /nfs/dbraw/zinc/49/42/91/1075494291.db2.gz QDNDUJJKYBJDBT-HNNXBMFYSA-N -1 1 423.472 0.641 20 0 HCADMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C[C@H]3NC(=O)NC3=O)cc2)cc1 ZINC000539853786 1075494178 /nfs/dbraw/zinc/49/41/78/1075494178.db2.gz QDNDUJJKYBJDBT-OAHLLOKOSA-N -1 1 423.472 0.641 20 0 HCADMM O=C1NC(=O)[C@H](Cc2ccc([N-]S(=O)(=O)c3cccc(-n4cnnn4)c3)cc2)N1 ZINC000539854481 1075494988 /nfs/dbraw/zinc/49/49/88/1075494988.db2.gz CDENEIRLRJWUKM-HNNXBMFYSA-N -1 1 413.419 0.214 20 0 HCADMM O=C1NC(=O)[C@@H](Cc2ccc([N-]S(=O)(=O)c3cccc(-n4cnnn4)c3)cc2)N1 ZINC000539854493 1075495060 /nfs/dbraw/zinc/49/50/60/1075495060.db2.gz CDENEIRLRJWUKM-OAHLLOKOSA-N -1 1 413.419 0.214 20 0 HCADMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc(C[C@@H]3NC(=O)NC3=O)cc2)cc1 ZINC000539856091 1075489898 /nfs/dbraw/zinc/48/98/98/1075489898.db2.gz MBEYJYFBKYKNJR-INIZCTEOSA-N -1 1 417.443 0.953 20 0 HCADMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc(C[C@H]3NC(=O)NC3=O)cc2)cc1 ZINC000539856092 1075489854 /nfs/dbraw/zinc/48/98/54/1075489854.db2.gz MBEYJYFBKYKNJR-MRXNPFEDSA-N -1 1 417.443 0.953 20 0 HCADMM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C[C@@H]3NC(=O)NC3=O)cc2)c1 ZINC000539856693 1075489593 /nfs/dbraw/zinc/48/95/93/1075489593.db2.gz UYVGUIFQIDXYMO-INIZCTEOSA-N -1 1 416.459 0.940 20 0 HCADMM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C[C@H]3NC(=O)NC3=O)cc2)c1 ZINC000539856695 1075489689 /nfs/dbraw/zinc/48/96/89/1075489689.db2.gz UYVGUIFQIDXYMO-MRXNPFEDSA-N -1 1 416.459 0.940 20 0 HCADMM CS(=O)(=O)c1nnc(NC(=O)c2ccc(S(C)(=O)=O)c(Br)c2)[n-]1 ZINC000539921830 1075508615 /nfs/dbraw/zinc/50/86/15/1075508615.db2.gz IAMAJBHLKBHUOR-UHFFFAOYSA-N -1 1 423.270 0.627 20 0 HCADMM CS(=O)(=O)c1n[n-]c(NC(=O)c2ccc(S(C)(=O)=O)c(Br)c2)n1 ZINC000539921830 1075508610 /nfs/dbraw/zinc/50/86/10/1075508610.db2.gz IAMAJBHLKBHUOR-UHFFFAOYSA-N -1 1 423.270 0.627 20 0 HCADMM Cn1cnn(CC(=O)NCc2ccccc2[N-]S(=O)(=O)c2ccccc2)c1=O ZINC000539935591 1075514354 /nfs/dbraw/zinc/51/43/54/1075514354.db2.gz YWPODBBWWXWYPQ-UHFFFAOYSA-N -1 1 401.448 0.699 20 0 HCADMM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3ncn(C)c3=O)cc2)cc1C(N)=O ZINC000539942047 1075517388 /nfs/dbraw/zinc/51/73/88/1075517388.db2.gz GBHZLVPASJCHQS-UHFFFAOYSA-N -1 1 403.420 0.479 20 0 HCADMM Cn1cnn(-c2ccc([N-]S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)cc2)c1=O ZINC000539943108 1075517406 /nfs/dbraw/zinc/51/74/06/1075517406.db2.gz BRSWGGFIHDLVBJ-UHFFFAOYSA-N -1 1 401.404 0.817 20 0 HCADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)c(F)c1 ZINC000539951694 1075521011 /nfs/dbraw/zinc/52/10/11/1075521011.db2.gz ZBHABWUEOPGNOI-DOMZBBRYSA-N -1 1 408.473 0.814 20 0 HCADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)c(F)c1 ZINC000539951695 1075521290 /nfs/dbraw/zinc/52/12/90/1075521290.db2.gz ZBHABWUEOPGNOI-IUODEOHRSA-N -1 1 408.473 0.814 20 0 HCADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2CCO[C@]3(CCOC3)C2)c(F)c1 ZINC000539951699 1075521229 /nfs/dbraw/zinc/52/12/29/1075521229.db2.gz ZBHABWUEOPGNOI-SWLSCSKDSA-N -1 1 408.473 0.814 20 0 HCADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)c(F)c1 ZINC000539951701 1075521307 /nfs/dbraw/zinc/52/13/07/1075521307.db2.gz ZBHABWUEOPGNOI-WFASDCNBSA-N -1 1 408.473 0.814 20 0 HCADMM CC(=O)N1CC[C@@](C)(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])C1 ZINC000539970881 1075526062 /nfs/dbraw/zinc/52/60/62/1075526062.db2.gz FIUCBIXCHIESRZ-GOSISDBHSA-N -1 1 411.480 0.610 20 0 HCADMM CC(=O)N1CC[C@](C)(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])C1 ZINC000539970882 1075526127 /nfs/dbraw/zinc/52/61/27/1075526127.db2.gz FIUCBIXCHIESRZ-SFHVURJKSA-N -1 1 411.480 0.610 20 0 HCADMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])c1ccc2nnnn2c1 ZINC000539971346 1075526547 /nfs/dbraw/zinc/52/65/47/1075526547.db2.gz RGRBHNHNLAPEJF-UHFFFAOYSA-N -1 1 404.408 0.103 20 0 HCADMM O=C(CCN1CCCS1(=O)=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000539971706 1075526437 /nfs/dbraw/zinc/52/64/37/1075526437.db2.gz JRGVPZXEEZRMBH-UHFFFAOYSA-N -1 1 417.509 0.541 20 0 HCADMM CCC[C@@H](NC(N)=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000539973871 1075523537 /nfs/dbraw/zinc/52/35/37/1075523537.db2.gz DOEHIEMSFIUKMC-GFCCVEGCSA-N -1 1 400.457 0.189 20 0 HCADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H](CCC(N)=O)NC(C)=O)c1 ZINC000539974398 1075523844 /nfs/dbraw/zinc/52/38/44/1075523844.db2.gz LCDNMDLPTOMSCG-CYBMUJFWSA-N -1 1 414.484 0.131 20 0 HCADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](CCC(N)=O)NC(C)=O)c1 ZINC000539974399 1075523990 /nfs/dbraw/zinc/52/39/90/1075523990.db2.gz LCDNMDLPTOMSCG-ZDUSSCGKSA-N -1 1 414.484 0.131 20 0 HCADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CN2C(=O)NC(C)(C)C2=O)c1 ZINC000539974427 1075523984 /nfs/dbraw/zinc/52/39/84/1075523984.db2.gz LPUAPFWDRNYISW-UHFFFAOYSA-N -1 1 412.468 0.692 20 0 HCADMM O=C(CCN1CCCS1(=O)=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000539980201 1075528314 /nfs/dbraw/zinc/52/83/14/1075528314.db2.gz KNKHRBXCKFEESF-UHFFFAOYSA-N -1 1 403.482 0.197 20 0 HCADMM O=C(CCn1nc2ccccn2c1=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000539980525 1075528298 /nfs/dbraw/zinc/52/82/98/1075528298.db2.gz XMAMRNJYJLRTRJ-UHFFFAOYSA-N -1 1 417.447 0.671 20 0 HCADMM CCN(CC)S(=O)(=O)CC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000539980851 1075528245 /nfs/dbraw/zinc/52/82/45/1075528245.db2.gz XVICUHVTDRHNAE-UHFFFAOYSA-N -1 1 405.498 0.443 20 0 HCADMM CN(CC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])c1ncnc2nc[nH]c21 ZINC000539983386 1075528786 /nfs/dbraw/zinc/52/87/86/1075528786.db2.gz BZTJOLFHWSIDNK-UHFFFAOYSA-N -1 1 417.451 0.574 20 0 HCADMM O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-])C1CCC2(CC1)NC(=O)NC2=O ZINC000539988366 1075529407 /nfs/dbraw/zinc/52/94/07/1075529407.db2.gz LFBBQBJQVDADOS-UHFFFAOYSA-N -1 1 422.463 0.540 20 0 HCADMM O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000539989856 1075529586 /nfs/dbraw/zinc/52/95/86/1075529586.db2.gz ISDQWNDZPQPXIY-KBPBESRZSA-N -1 1 421.475 0.947 20 0 HCADMM O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000539989859 1075529390 /nfs/dbraw/zinc/52/93/90/1075529390.db2.gz ISDQWNDZPQPXIY-OKILXGFUSA-N -1 1 421.475 0.947 20 0 HCADMM O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1[O-] ZINC000539989863 1075529613 /nfs/dbraw/zinc/52/96/13/1075529613.db2.gz ISDQWNDZPQPXIY-ZIAGYGMSSA-N -1 1 421.475 0.947 20 0 HCADMM CCNS(=O)(=O)[C@H]1CCN(C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)C1 ZINC000540024377 1075540343 /nfs/dbraw/zinc/54/03/43/1075540343.db2.gz GXZNYGOMVKWTTR-AWEZNQCLSA-N -1 1 405.480 0.635 20 0 HCADMM CCNS(=O)(=O)[C@@H]1CCN(C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)C1 ZINC000540024378 1075540387 /nfs/dbraw/zinc/54/03/87/1075540387.db2.gz GXZNYGOMVKWTTR-CQSZACIVSA-N -1 1 405.480 0.635 20 0 HCADMM CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000540033110 1075538185 /nfs/dbraw/zinc/53/81/85/1075538185.db2.gz MAACVYUCNOOKSF-HWPZZCPQSA-N -1 1 413.427 0.688 20 0 HCADMM CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000540033111 1075538310 /nfs/dbraw/zinc/53/83/10/1075538310.db2.gz MAACVYUCNOOKSF-MGPLVRAMSA-N -1 1 413.427 0.688 20 0 HCADMM CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000540033112 1075538359 /nfs/dbraw/zinc/53/83/59/1075538359.db2.gz MAACVYUCNOOKSF-QFYYESIMSA-N -1 1 413.427 0.688 20 0 HCADMM CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000540033114 1075544337 /nfs/dbraw/zinc/54/43/37/1075544337.db2.gz MAACVYUCNOOKSF-QLJPJBMISA-N -1 1 413.427 0.688 20 0 HCADMM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N2CCC(O)(CN3CCOCC3)CC2)c1 ZINC000540037120 1075546353 /nfs/dbraw/zinc/54/63/53/1075546353.db2.gz PNWNGVCZQAQOSL-UHFFFAOYSA-N -1 1 411.524 0.666 20 0 HCADMM NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)cc1F ZINC000540038394 1075546812 /nfs/dbraw/zinc/54/68/12/1075546812.db2.gz BAMANJUEQUGNRQ-UHFFFAOYSA-N -1 1 422.387 0.876 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@H](CO)OC[C@@H]2C)c(OC)c1 ZINC000540042337 1075548410 /nfs/dbraw/zinc/54/84/10/1075548410.db2.gz GLLBNLDKLSEQFX-GXTWGEPZSA-N -1 1 422.525 0.617 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H](CO)OC[C@@H]2C)c(OC)c1 ZINC000540042339 1075548278 /nfs/dbraw/zinc/54/82/78/1075548278.db2.gz GLLBNLDKLSEQFX-JSGCOSHPSA-N -1 1 422.525 0.617 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H](CO)OC[C@H]2C)c(OC)c1 ZINC000540042341 1075548484 /nfs/dbraw/zinc/54/84/84/1075548484.db2.gz GLLBNLDKLSEQFX-OCCSQVGLSA-N -1 1 422.525 0.617 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@H](CO)OC[C@H]2C)c(OC)c1 ZINC000540042343 1075548321 /nfs/dbraw/zinc/54/83/21/1075548321.db2.gz GLLBNLDKLSEQFX-TZMCWYRMSA-N -1 1 422.525 0.617 20 0 HCADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)c1 ZINC000540050856 1075549272 /nfs/dbraw/zinc/54/92/72/1075549272.db2.gz BAWXNLFRTRMIGS-UHFFFAOYSA-N -1 1 408.827 0.985 20 0 HCADMM CCCCS(=O)(=O)N1CCC(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])CC1 ZINC000540050903 1075549560 /nfs/dbraw/zinc/54/95/60/1075549560.db2.gz GAOMAFQAMCZWEY-UHFFFAOYSA-N -1 1 419.525 0.820 20 0 HCADMM Cc1cc(NC(=O)CSCC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])no1 ZINC000540050915 1075549771 /nfs/dbraw/zinc/54/97/71/1075549771.db2.gz HBVNURVRYUKPBC-UHFFFAOYSA-N -1 1 400.438 0.646 20 0 HCADMM CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])cc1 ZINC000540051460 1075550079 /nfs/dbraw/zinc/55/00/79/1075550079.db2.gz HXHLOJNYCLXMDK-UHFFFAOYSA-N -1 1 413.477 0.979 20 0 HCADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)CNC(=O)N2CCc3ccccc3C2)c1 ZINC000540051548 1075549743 /nfs/dbraw/zinc/54/97/43/1075549743.db2.gz LGYCJEAYQXTZNF-UHFFFAOYSA-N -1 1 404.448 0.746 20 0 HCADMM CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])C2=O ZINC000540051563 1075549719 /nfs/dbraw/zinc/54/97/19/1075549719.db2.gz MROBHTAAKBMBCT-UHFFFAOYSA-N -1 1 424.479 0.869 20 0 HCADMM COC(=O)c1c(C)c(C(C)=O)[nH]c1CC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000540051875 1075549706 /nfs/dbraw/zinc/54/97/06/1075549706.db2.gz WWTCPIPHUYGWHV-UHFFFAOYSA-N -1 1 409.420 0.847 20 0 HCADMM CCc1nn(C)c(OC)c1CNC(=O)CCc1c(C)nc(N2CCOCC2)[n-]c1=O ZINC000540123627 1075566249 /nfs/dbraw/zinc/56/62/49/1075566249.db2.gz UQMHFRMLQDWYKI-UHFFFAOYSA-N -1 1 418.498 0.881 20 0 HCADMM COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(F)cc2NS(C)(=O)=O)cn1 ZINC000540214121 1075583077 /nfs/dbraw/zinc/58/30/77/1075583077.db2.gz XLWNKEYMMXDYPD-UHFFFAOYSA-N -1 1 406.417 0.368 20 0 HCADMM CS(=O)(=O)Nc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000540216797 1075583637 /nfs/dbraw/zinc/58/36/37/1075583637.db2.gz UEOYTEWTQMCRLI-UHFFFAOYSA-N -1 1 423.469 0.645 20 0 HCADMM CS(=O)(=O)Nc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000540218028 1075584241 /nfs/dbraw/zinc/58/42/41/1075584241.db2.gz ZSXLKCYBPDRYEU-UHFFFAOYSA-N -1 1 423.469 0.645 20 0 HCADMM COc1cc(NC(=O)C(=O)N(C)CC(=O)NC(C)(C)C)ccc1[N-]S(C)(=O)=O ZINC000540231812 1075586855 /nfs/dbraw/zinc/58/68/55/1075586855.db2.gz KAMYOXPPWIKTDY-UHFFFAOYSA-N -1 1 414.484 0.378 20 0 HCADMM COC(=O)Cc1c(C(=O)OC)sc2[n-]c(CN3CCc4n[nH]cc4C3)nc(=O)c12 ZINC000540247780 1075590366 /nfs/dbraw/zinc/59/03/66/1075590366.db2.gz OHRCMWQYHZBZOV-UHFFFAOYSA-N -1 1 417.447 0.768 20 0 HCADMM CS(=O)(=O)[N-]c1cc(F)ccc1NC(=O)CCn1cc(S(N)(=O)=O)cn1 ZINC000540249720 1075587268 /nfs/dbraw/zinc/58/72/68/1075587268.db2.gz VTJIGPURWFBQKZ-UHFFFAOYSA-N -1 1 405.433 0.070 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCOc2ccc(NS(C)(=O)=O)cc2)co1 ZINC000540251228 1075587553 /nfs/dbraw/zinc/58/75/53/1075587553.db2.gz RYUWIJQFJBTQSU-UHFFFAOYSA-N -1 1 417.465 0.368 20 0 HCADMM Cc1nc(S(=O)(=O)NCC(=O)Nc2ccc(F)cc2[N-]S(C)(=O)=O)cn1C ZINC000540251284 1075587961 /nfs/dbraw/zinc/58/79/61/1075587961.db2.gz VRCDDQOUZOQFKU-UHFFFAOYSA-N -1 1 419.460 0.156 20 0 HCADMM COc1cc(NC(=O)C(=O)NCCOC[C@H]2CCCO2)ccc1[N-]S(C)(=O)=O ZINC000540257967 1075590663 /nfs/dbraw/zinc/59/06/63/1075590663.db2.gz ATVBZFPCPFWHEI-CYBMUJFWSA-N -1 1 415.468 0.317 20 0 HCADMM COc1cc(NC(=O)C(=O)NCCOC[C@@H]2CCCO2)ccc1[N-]S(C)(=O)=O ZINC000540257968 1075590736 /nfs/dbraw/zinc/59/07/36/1075590736.db2.gz ATVBZFPCPFWHEI-ZDUSSCGKSA-N -1 1 415.468 0.317 20 0 HCADMM COCCN(CC(F)F)C(=O)C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000540259246 1075591709 /nfs/dbraw/zinc/59/17/09/1075591709.db2.gz QDUHJSKCEGAGOL-UHFFFAOYSA-N -1 1 409.411 0.745 20 0 HCADMM CCn1cc(CN(C)C(=O)C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)cn1 ZINC000540260289 1075592071 /nfs/dbraw/zinc/59/20/71/1075592071.db2.gz DLFOYEMGOOKTJD-UHFFFAOYSA-N -1 1 409.468 0.880 20 0 HCADMM COc1cc(NC(=O)C(=O)NCCC(=O)NC(C)(C)C)ccc1[N-]S(C)(=O)=O ZINC000540261502 1075592861 /nfs/dbraw/zinc/59/28/61/1075592861.db2.gz FVKKYBPWRTZNLQ-UHFFFAOYSA-N -1 1 414.484 0.426 20 0 HCADMM CCC(CC)[C@@H](O)CNC(=O)C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000540263404 1075593413 /nfs/dbraw/zinc/59/34/13/1075593413.db2.gz UUELGERKKMCALT-AWEZNQCLSA-N -1 1 401.485 0.919 20 0 HCADMM CCC(CC)[C@H](O)CNC(=O)C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000540263405 1075593552 /nfs/dbraw/zinc/59/35/52/1075593552.db2.gz UUELGERKKMCALT-CQSZACIVSA-N -1 1 401.485 0.919 20 0 HCADMM COc1cc(NC(=O)C(=O)NCCC(=O)OC(C)(C)C)ccc1[N-]S(C)(=O)=O ZINC000540264975 1075593741 /nfs/dbraw/zinc/59/37/41/1075593741.db2.gz HNIJHYDROFDWQW-UHFFFAOYSA-N -1 1 415.468 0.853 20 0 HCADMM COc1cc(NC(=O)C(=O)NCC(C)(C)C[C@@H](C)O)ccc1[N-]S(C)(=O)=O ZINC000540265003 1075593795 /nfs/dbraw/zinc/59/37/95/1075593795.db2.gz IGJRTBNTFVEFGM-LLVKDONJSA-N -1 1 401.485 0.919 20 0 HCADMM COc1cc(NC(=O)C(=O)NCC(C)(C)C[C@H](C)O)ccc1[N-]S(C)(=O)=O ZINC000540265004 1075593779 /nfs/dbraw/zinc/59/37/79/1075593779.db2.gz IGJRTBNTFVEFGM-NSHDSACASA-N -1 1 401.485 0.919 20 0 HCADMM COc1cc(NC(=O)C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)ccc1[N-]S(C)(=O)=O ZINC000540265279 1075594817 /nfs/dbraw/zinc/59/48/17/1075594817.db2.gz OWAFAPNOXMAPQJ-DFBGVHRSSA-N -1 1 411.480 0.935 20 0 HCADMM COc1cc(NC(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)ccc1[N-]S(C)(=O)=O ZINC000540265284 1075594834 /nfs/dbraw/zinc/59/48/34/1075594834.db2.gz OWAFAPNOXMAPQJ-GLQYFDAESA-N -1 1 411.480 0.935 20 0 HCADMM COc1cc(NC(=O)C(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)ccc1[N-]S(C)(=O)=O ZINC000540265286 1075594712 /nfs/dbraw/zinc/59/47/12/1075594712.db2.gz OWAFAPNOXMAPQJ-KCPJHIHWSA-N -1 1 411.480 0.935 20 0 HCADMM COc1cc(NC(=O)C(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)ccc1[N-]S(C)(=O)=O ZINC000540265288 1075594756 /nfs/dbraw/zinc/59/47/56/1075594756.db2.gz OWAFAPNOXMAPQJ-NILFDRSVSA-N -1 1 411.480 0.935 20 0 HCADMM COc1ccc(NC(=O)C(=O)N2CCN(C)C[C@H]2C(C)C)cc1[N-]S(C)(=O)=O ZINC000540266669 1075595086 /nfs/dbraw/zinc/59/50/86/1075595086.db2.gz BUWFJQDIIREUJN-HNNXBMFYSA-N -1 1 412.512 0.804 20 0 HCADMM COc1ccc(NC(=O)C(=O)N2CCN(C)C[C@@H]2C(C)C)cc1[N-]S(C)(=O)=O ZINC000540266670 1075595065 /nfs/dbraw/zinc/59/50/65/1075595065.db2.gz BUWFJQDIIREUJN-OAHLLOKOSA-N -1 1 412.512 0.804 20 0 HCADMM COc1ccc(NC(=O)C(=O)NCCC(=O)OC(C)(C)C)cc1[N-]S(C)(=O)=O ZINC000540267601 1075595867 /nfs/dbraw/zinc/59/58/67/1075595867.db2.gz BYCYDMOXAUFRET-UHFFFAOYSA-N -1 1 415.468 0.853 20 0 HCADMM COc1cc(NC(=O)C(=O)N2CCC[C@@H](n3cncn3)C2)ccc1[N-]S(C)(=O)=O ZINC000540267979 1075595402 /nfs/dbraw/zinc/59/54/02/1075595402.db2.gz IGUFQLNVTUEFTK-CYBMUJFWSA-N -1 1 422.467 0.460 20 0 HCADMM COc1cc(NC(=O)C(=O)N2CCC[C@H](n3cncn3)C2)ccc1[N-]S(C)(=O)=O ZINC000540267980 1075595376 /nfs/dbraw/zinc/59/53/76/1075595376.db2.gz IGUFQLNVTUEFTK-ZDUSSCGKSA-N -1 1 422.467 0.460 20 0 HCADMM COc1ccc(NC(=O)C(=O)NCCCc2cnn(C)c2)cc1[N-]S(C)(=O)=O ZINC000540268348 1075603145 /nfs/dbraw/zinc/60/31/45/1075603145.db2.gz VVTCMUHJGMCWTI-UHFFFAOYSA-N -1 1 409.468 0.488 20 0 HCADMM COc1ccc(NC(=O)C(=O)N2CCN(C(=O)C3CC3)CC2)cc1[N-]S(C)(=O)=O ZINC000540269080 1075595926 /nfs/dbraw/zinc/59/59/26/1075595926.db2.gz LFRHLJBKUVVPIW-UHFFFAOYSA-N -1 1 424.479 0.086 20 0 HCADMM COC(=O)C1CCN(C(=O)C(=O)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)CC1 ZINC000540270026 1075603586 /nfs/dbraw/zinc/60/35/86/1075603586.db2.gz WGJCQZUGZLAZIE-UHFFFAOYSA-N -1 1 413.452 0.417 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccccc2-n2ccnc2)o1 ZINC000540271192 1075603840 /nfs/dbraw/zinc/60/38/40/1075603840.db2.gz QBEACEYTJMMLON-UHFFFAOYSA-N -1 1 403.420 0.159 20 0 HCADMM COc1cc(NC(=O)C(=O)N2CCN(CC(F)F)CC2)ccc1[N-]S(C)(=O)=O ZINC000540272026 1075604658 /nfs/dbraw/zinc/60/46/58/1075604658.db2.gz ZKGJXBJFIXLBKG-UHFFFAOYSA-N -1 1 420.438 0.415 20 0 HCADMM COc1ccc(NC(=O)C(=O)NCCC(=O)OC(C)C)cc1[N-]S(C)(=O)=O ZINC000540272188 1075604754 /nfs/dbraw/zinc/60/47/54/1075604754.db2.gz AIUUPYOQVOPUQP-UHFFFAOYSA-N -1 1 401.441 0.463 20 0 HCADMM COc1ccc(NC(=O)C(=O)NCCCc2c[nH]nc2C)cc1[N-]S(C)(=O)=O ZINC000540272879 1075605435 /nfs/dbraw/zinc/60/54/35/1075605435.db2.gz PPSVDBOCIPDYRE-UHFFFAOYSA-N -1 1 409.468 0.786 20 0 HCADMM COc1ccc(NC(=O)C(=O)NCCNC(=O)c2ccco2)cc1[N-]S(C)(=O)=O ZINC000540273769 1075605873 /nfs/dbraw/zinc/60/58/73/1075605873.db2.gz USLZIRCQPYKQIY-UHFFFAOYSA-N -1 1 424.435 0.144 20 0 HCADMM CCCNC(=O)CCNC(=O)C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000540275424 1075607298 /nfs/dbraw/zinc/60/72/98/1075607298.db2.gz DSELAYIOHYNKAA-UHFFFAOYSA-N -1 1 400.457 0.038 20 0 HCADMM COC(=O)CCCCNC(=O)C(=O)Nc1ccc([N-]S(C)(=O)=O)c(OC)c1 ZINC000540275843 1075606987 /nfs/dbraw/zinc/60/69/87/1075606987.db2.gz DVZIHECOESPXJK-UHFFFAOYSA-N -1 1 401.441 0.465 20 0 HCADMM COc1ccc(NC(=O)C(=O)NC[C@@H](O)COCC(C)C)cc1[N-]S(C)(=O)=O ZINC000540276701 1075597839 /nfs/dbraw/zinc/59/78/39/1075597839.db2.gz DXVINFGXIRKWAG-CYBMUJFWSA-N -1 1 417.484 0.155 20 0 HCADMM COc1ccc(NC(=O)C(=O)NC[C@H](O)COCC(C)C)cc1[N-]S(C)(=O)=O ZINC000540276710 1075597907 /nfs/dbraw/zinc/59/79/07/1075597907.db2.gz DXVINFGXIRKWAG-ZDUSSCGKSA-N -1 1 417.484 0.155 20 0 HCADMM COc1cc(NC(=O)C(=O)N[C@@H]2CCCc3c2cnn3C)ccc1[N-]S(C)(=O)=O ZINC000540277542 1075598536 /nfs/dbraw/zinc/59/85/36/1075598536.db2.gz ZLHSYFXUUMUZII-CYBMUJFWSA-N -1 1 421.479 0.933 20 0 HCADMM COc1cc(NC(=O)C(=O)N[C@H]2CCCc3c2cnn3C)ccc1[N-]S(C)(=O)=O ZINC000540277544 1075598650 /nfs/dbraw/zinc/59/86/50/1075598650.db2.gz ZLHSYFXUUMUZII-ZDUSSCGKSA-N -1 1 421.479 0.933 20 0 HCADMM COc1cc(NC(=O)C(=O)NCC(=O)OC(C)(C)C)ccc1[N-]S(C)(=O)=O ZINC000540278470 1075598954 /nfs/dbraw/zinc/59/89/54/1075598954.db2.gz AULNJLJJNNHPSA-UHFFFAOYSA-N -1 1 401.441 0.463 20 0 HCADMM COc1cc(NC(=O)C(=O)NCCSCCCO)ccc1[N-]S(C)(=O)=O ZINC000540280670 1075600208 /nfs/dbraw/zinc/60/02/08/1075600208.db2.gz ULFSJJSOGSJFBW-UHFFFAOYSA-N -1 1 405.498 0.237 20 0 HCADMM COc1cc(NC(=O)C(=O)NCc2cccnc2OC)ccc1[N-]S(C)(=O)=O ZINC000540282946 1075600897 /nfs/dbraw/zinc/60/08/97/1075600897.db2.gz JHLBTQRKBKJENI-UHFFFAOYSA-N -1 1 408.436 0.725 20 0 HCADMM COc1cc(NC(=O)C(=O)NCc2cccnc2N(C)C)ccc1[N-]S(C)(=O)=O ZINC000540284021 1075601317 /nfs/dbraw/zinc/60/13/17/1075601317.db2.gz WYFAAVLTUMNMDY-UHFFFAOYSA-N -1 1 421.479 0.783 20 0 HCADMM COc1cc(CNC(=O)C(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)ccn1 ZINC000540284200 1075601305 /nfs/dbraw/zinc/60/13/05/1075601305.db2.gz OVFFQGYRYHBMOL-UHFFFAOYSA-N -1 1 408.436 0.725 20 0 HCADMM CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)N=c3nc(C(C)(C)C)[n-]s3)C2)CC1 ZINC000540293066 1075616789 /nfs/dbraw/zinc/61/67/89/1075616789.db2.gz SGNANOWTFPYHPC-AWEZNQCLSA-N -1 1 408.572 0.823 20 0 HCADMM CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)N=c3nc(C(C)(C)C)[n-]s3)C2)CC1 ZINC000540293067 1075616724 /nfs/dbraw/zinc/61/67/24/1075616724.db2.gz SGNANOWTFPYHPC-CQSZACIVSA-N -1 1 408.572 0.823 20 0 HCADMM CN(C)C(=O)c1cc(S(=O)(=O)Nc2cc3c(c(C(=O)[O-])c2)OCCO3)cn1C ZINC000540295305 1075608378 /nfs/dbraw/zinc/60/83/78/1075608378.db2.gz UGJPYVQGMBDQMC-UHFFFAOYSA-N -1 1 409.420 0.997 20 0 HCADMM COc1ccc(NC(=O)C(=O)N[C@H](C)C(=O)OC(C)(C)C)cc1[N-]S(C)(=O)=O ZINC000540302434 1075613002 /nfs/dbraw/zinc/61/30/02/1075613002.db2.gz AVLOQKCCWUFKPC-SNVBAGLBSA-N -1 1 415.468 0.852 20 0 HCADMM COc1ccc(NC(=O)C(=O)N[C@@H]2CC(=O)N(C(C)C)C2)cc1[N-]S(C)(=O)=O ZINC000540302770 1075612550 /nfs/dbraw/zinc/61/25/50/1075612550.db2.gz SQZFFICRBVNPKS-GFCCVEGCSA-N -1 1 412.468 0.131 20 0 HCADMM COc1ccc(NC(=O)C(=O)N[C@H]2CC(=O)N(C(C)C)C2)cc1[N-]S(C)(=O)=O ZINC000540302772 1075612560 /nfs/dbraw/zinc/61/25/60/1075612560.db2.gz SQZFFICRBVNPKS-LBPRGKRZSA-N -1 1 412.468 0.131 20 0 HCADMM COc1cc(NC(=O)C(=O)N2CCC[C@H]2C(=O)NC2CC2)ccc1[N-]S(C)(=O)=O ZINC000540303024 1075612543 /nfs/dbraw/zinc/61/25/43/1075612543.db2.gz LYXHPLAQVONPBP-AWEZNQCLSA-N -1 1 424.479 0.275 20 0 HCADMM COc1cc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)NC2CC2)ccc1[N-]S(C)(=O)=O ZINC000540303025 1075612563 /nfs/dbraw/zinc/61/25/63/1075612563.db2.gz LYXHPLAQVONPBP-CQSZACIVSA-N -1 1 424.479 0.275 20 0 HCADMM COc1cc(NC(=O)C(=O)N[C@@H](CO)CCSC)ccc1[N-]S(C)(=O)=O ZINC000540303746 1075613252 /nfs/dbraw/zinc/61/32/52/1075613252.db2.gz JSFKEVMNAOEINT-LLVKDONJSA-N -1 1 405.498 0.235 20 0 HCADMM COc1cc(NC(=O)C(=O)N[C@H](CO)CCSC)ccc1[N-]S(C)(=O)=O ZINC000540303748 1075613346 /nfs/dbraw/zinc/61/33/46/1075613346.db2.gz JSFKEVMNAOEINT-NSHDSACASA-N -1 1 405.498 0.235 20 0 HCADMM COc1ccc(NC(=O)C(=O)N[C@@H](CO)CC(F)(F)F)cc1[N-]S(C)(=O)=O ZINC000540304050 1075613299 /nfs/dbraw/zinc/61/32/99/1075613299.db2.gz HYOGCOSIVCUXAS-SECBINFHSA-N -1 1 413.374 0.435 20 0 HCADMM COc1ccc(NC(=O)C(=O)N[C@H](CO)CC(F)(F)F)cc1[N-]S(C)(=O)=O ZINC000540304051 1075613366 /nfs/dbraw/zinc/61/33/66/1075613366.db2.gz HYOGCOSIVCUXAS-VIFPVBQESA-N -1 1 413.374 0.435 20 0 HCADMM COc1cc(NC(=O)C(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)ccc1[N-]S(C)(=O)=O ZINC000540304158 1075613457 /nfs/dbraw/zinc/61/34/57/1075613457.db2.gz WIBCLGAHGILFEG-GHMZBOCLSA-N -1 1 412.468 0.166 20 0 HCADMM COc1cc(NC(=O)C(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)ccc1[N-]S(C)(=O)=O ZINC000540304161 1075613327 /nfs/dbraw/zinc/61/33/27/1075613327.db2.gz WIBCLGAHGILFEG-MNOVXSKESA-N -1 1 412.468 0.166 20 0 HCADMM COc1cc(NC(=O)C(=O)N[C@H]2CCC[C@H](C(N)=O)C2)ccc1[N-]S(C)(=O)=O ZINC000540304162 1075613268 /nfs/dbraw/zinc/61/32/68/1075613268.db2.gz WIBCLGAHGILFEG-QWRGUYRKSA-N -1 1 412.468 0.166 20 0 HCADMM COc1cc(NC(=O)C(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)ccc1[N-]S(C)(=O)=O ZINC000540304164 1075613399 /nfs/dbraw/zinc/61/33/99/1075613399.db2.gz WIBCLGAHGILFEG-WDEREUQCSA-N -1 1 412.468 0.166 20 0 HCADMM COc1cc(NC(=O)C(=O)N[C@@H](CO)CC(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000540304409 1075620257 /nfs/dbraw/zinc/62/02/57/1075620257.db2.gz MVBASYGEINRUFG-SECBINFHSA-N -1 1 413.374 0.435 20 0 HCADMM COc1cc(NC(=O)C(=O)N[C@H](CO)CC(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000540304410 1075620277 /nfs/dbraw/zinc/62/02/77/1075620277.db2.gz MVBASYGEINRUFG-VIFPVBQESA-N -1 1 413.374 0.435 20 0 HCADMM COc1cc(NC(=O)C(=O)N[C@@H](CO)c2ccccc2)ccc1[N-]S(C)(=O)=O ZINC000540304433 1075620288 /nfs/dbraw/zinc/62/02/88/1075620288.db2.gz QKSQHVMJNFWYHS-HNNXBMFYSA-N -1 1 407.448 0.855 20 0 HCADMM COc1ccc(NC(=O)C(=O)N[C@@H](CO)CCSC)cc1[N-]S(C)(=O)=O ZINC000540304928 1075611884 /nfs/dbraw/zinc/61/18/84/1075611884.db2.gz YGZILTRCOJTOOU-LLVKDONJSA-N -1 1 405.498 0.235 20 0 HCADMM COc1ccc(NC(=O)C(=O)N[C@H](CO)CCSC)cc1[N-]S(C)(=O)=O ZINC000540304929 1075611713 /nfs/dbraw/zinc/61/17/13/1075611713.db2.gz YGZILTRCOJTOOU-NSHDSACASA-N -1 1 405.498 0.235 20 0 HCADMM CCC(CC)(CO)CNC(=O)C(=O)Nc1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000540304962 1075620213 /nfs/dbraw/zinc/62/02/13/1075620213.db2.gz ZLKOVPBTFSMFAB-UHFFFAOYSA-N -1 1 401.485 0.920 20 0 HCADMM CCc1nnc([C@@H](C)NC(=O)C(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)[nH]1 ZINC000540305325 1075620663 /nfs/dbraw/zinc/62/06/63/1075620663.db2.gz LGHAMSVHPGJUEN-SECBINFHSA-N -1 1 410.456 0.563 20 0 HCADMM CCc1nnc([C@H](C)NC(=O)C(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)[nH]1 ZINC000540305326 1075620634 /nfs/dbraw/zinc/62/06/34/1075620634.db2.gz LGHAMSVHPGJUEN-VIFPVBQESA-N -1 1 410.456 0.563 20 0 HCADMM COc1cc(NC(=O)C(=O)NC[C@@](C)(O)C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000540305456 1075620572 /nfs/dbraw/zinc/62/05/72/1075620572.db2.gz QEBVWLSLWKNCBB-CYBMUJFWSA-N -1 1 413.374 0.435 20 0 HCADMM COc1cc(NC(=O)C(=O)NC[C@](C)(O)C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000540305457 1075621063 /nfs/dbraw/zinc/62/10/63/1075621063.db2.gz QEBVWLSLWKNCBB-ZDUSSCGKSA-N -1 1 413.374 0.435 20 0 HCADMM COc1ccc(NC(=O)C(=O)NCCCNC(=O)C(C)C)cc1[N-]S(C)(=O)=O ZINC000540305926 1075621095 /nfs/dbraw/zinc/62/10/95/1075621095.db2.gz CWNSPCPHYSGRHB-UHFFFAOYSA-N -1 1 414.484 0.284 20 0 HCADMM COc1ccc(NC(=O)C(=O)N[C@@H](C)CO[C@H]2CCOC2)cc1[N-]S(C)(=O)=O ZINC000540307154 1075621566 /nfs/dbraw/zinc/62/15/66/1075621566.db2.gz MABXMOIYHLBQHN-AAEUAGOBSA-N -1 1 415.468 0.315 20 0 HCADMM COc1ccc(NC(=O)C(=O)N[C@H](C)CO[C@@H]2CCOC2)cc1[N-]S(C)(=O)=O ZINC000540307155 1075621506 /nfs/dbraw/zinc/62/15/06/1075621506.db2.gz MABXMOIYHLBQHN-DGCLKSJQSA-N -1 1 415.468 0.315 20 0 HCADMM COc1ccc(NC(=O)C(=O)N[C@@H](C)CO[C@@H]2CCOC2)cc1[N-]S(C)(=O)=O ZINC000540307156 1075621463 /nfs/dbraw/zinc/62/14/63/1075621463.db2.gz MABXMOIYHLBQHN-WCQYABFASA-N -1 1 415.468 0.315 20 0 HCADMM COc1ccc(NC(=O)C(=O)N[C@H](C)CO[C@H]2CCOC2)cc1[N-]S(C)(=O)=O ZINC000540307157 1075621528 /nfs/dbraw/zinc/62/15/28/1075621528.db2.gz MABXMOIYHLBQHN-YPMHNXCESA-N -1 1 415.468 0.315 20 0 HCADMM COc1cc(NC(=O)C(=O)N[C@H](CO)c2ccccc2)ccc1[N-]S(C)(=O)=O ZINC000540307992 1075622944 /nfs/dbraw/zinc/62/29/44/1075622944.db2.gz QKSQHVMJNFWYHS-OAHLLOKOSA-N -1 1 407.448 0.855 20 0 HCADMM COc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H](CO)SC)cc1[N-]S(C)(=O)=O ZINC000540308607 1075624418 /nfs/dbraw/zinc/62/44/18/1075624418.db2.gz RTKDZRYEXQOJDU-NOZJJQNGSA-N -1 1 405.498 0.234 20 0 HCADMM COc1ccc(NC(=O)C(=O)N[C@H](C)[C@H](CO)SC)cc1[N-]S(C)(=O)=O ZINC000540308611 1075624275 /nfs/dbraw/zinc/62/42/75/1075624275.db2.gz RTKDZRYEXQOJDU-RNCFNFMXSA-N -1 1 405.498 0.234 20 0 HCADMM COc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H](CO)SC)cc1[N-]S(C)(=O)=O ZINC000540308615 1075624346 /nfs/dbraw/zinc/62/43/46/1075624346.db2.gz RTKDZRYEXQOJDU-TVQRCGJNSA-N -1 1 405.498 0.234 20 0 HCADMM COc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H](CO)SC)cc1[N-]S(C)(=O)=O ZINC000540308618 1075623930 /nfs/dbraw/zinc/62/39/30/1075623930.db2.gz RTKDZRYEXQOJDU-ZANVPECISA-N -1 1 405.498 0.234 20 0 HCADMM COc1cc(NC(=O)C(=O)N(C)CCNC(=O)C(C)C)ccc1[N-]S(C)(=O)=O ZINC000540311896 1075625968 /nfs/dbraw/zinc/62/59/68/1075625968.db2.gz OVXSQIOXHZUIKP-UHFFFAOYSA-N -1 1 414.484 0.236 20 0 HCADMM COC(=O)[C@H]([N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1)c1ccc(OC(F)F)cc1 ZINC000540319677 1075619808 /nfs/dbraw/zinc/61/98/08/1075619808.db2.gz ACMYAOAIRIMODJ-CYBMUJFWSA-N -1 1 417.390 0.918 20 0 HCADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1)c1ccc(OC(F)F)cc1 ZINC000540319692 1075619835 /nfs/dbraw/zinc/61/98/35/1075619835.db2.gz ACMYAOAIRIMODJ-ZDUSSCGKSA-N -1 1 417.390 0.918 20 0 HCADMM CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cn2)cn1C ZINC000540331057 1075632058 /nfs/dbraw/zinc/63/20/58/1075632058.db2.gz IZOLHBPZHSAUJK-UHFFFAOYSA-N -1 1 406.512 0.675 20 0 HCADMM CNS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc3n[nH]c(C(N)=O)c3c2)c1 ZINC000540334359 1075628823 /nfs/dbraw/zinc/62/88/23/1075628823.db2.gz GZQCKSJXMOZRJM-UHFFFAOYSA-N -1 1 409.449 0.371 20 0 HCADMM Cn1c2ccc(S(=O)(=O)[N-]c3ccc4n[nH]c(C(N)=O)c4c3)cc2n(C)c1=O ZINC000540336737 1075629256 /nfs/dbraw/zinc/62/92/56/1075629256.db2.gz QIZFQIYGLDWXJE-UHFFFAOYSA-N -1 1 400.420 0.653 20 0 HCADMM COc1cc(NC(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)ccc1[N-]S(C)(=O)=O ZINC000540400345 1075656952 /nfs/dbraw/zinc/65/69/52/1075656952.db2.gz JMPFTZHCZKPPLO-GXTWGEPZSA-N -1 1 414.484 0.824 20 0 HCADMM COc1cc(NC(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)ccc1[N-]S(C)(=O)=O ZINC000540400346 1075656926 /nfs/dbraw/zinc/65/69/26/1075656926.db2.gz JMPFTZHCZKPPLO-JSGCOSHPSA-N -1 1 414.484 0.824 20 0 HCADMM COc1cc(NC(=O)NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)ccc1[N-]S(C)(=O)=O ZINC000540400347 1075656876 /nfs/dbraw/zinc/65/68/76/1075656876.db2.gz JMPFTZHCZKPPLO-OCCSQVGLSA-N -1 1 414.484 0.824 20 0 HCADMM COc1cc(NC(=O)NC[C@H]2CC[C@H](C(=O)N(C)C)O2)ccc1[N-]S(C)(=O)=O ZINC000540400348 1075656993 /nfs/dbraw/zinc/65/69/93/1075656993.db2.gz JMPFTZHCZKPPLO-TZMCWYRMSA-N -1 1 414.484 0.824 20 0 HCADMM O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000540422150 1075666556 /nfs/dbraw/zinc/66/65/56/1075666556.db2.gz BKOWBIHRXHADKV-AWEZNQCLSA-N -1 1 406.468 0.240 20 0 HCADMM O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000540422160 1075666542 /nfs/dbraw/zinc/66/65/42/1075666542.db2.gz BKOWBIHRXHADKV-CQSZACIVSA-N -1 1 406.468 0.240 20 0 HCADMM COc1cc(OC)cc(N2C[C@H](C(=O)N3CCC[C@@H](c4nn[n-]n4)C3)CC2=O)c1 ZINC000540423656 1075666840 /nfs/dbraw/zinc/66/68/40/1075666840.db2.gz DTXCVIGWXAZQNM-CHWSQXEVSA-N -1 1 400.439 0.976 20 0 HCADMM COc1cc(OC)cc(N2C[C@@H](C(=O)N3CCC[C@@H](c4nn[n-]n4)C3)CC2=O)c1 ZINC000540423658 1075666865 /nfs/dbraw/zinc/66/68/65/1075666865.db2.gz DTXCVIGWXAZQNM-OLZOCXBDSA-N -1 1 400.439 0.976 20 0 HCADMM COc1cc(OC)cc(N2C[C@H](C(=O)N3CCC[C@H](c4nn[n-]n4)C3)CC2=O)c1 ZINC000540423661 1075666963 /nfs/dbraw/zinc/66/69/63/1075666963.db2.gz DTXCVIGWXAZQNM-QWHCGFSZSA-N -1 1 400.439 0.976 20 0 HCADMM COc1cc(OC)cc(N2C[C@@H](C(=O)N3CCC[C@H](c4nn[n-]n4)C3)CC2=O)c1 ZINC000540423663 1075666789 /nfs/dbraw/zinc/66/67/89/1075666789.db2.gz DTXCVIGWXAZQNM-STQMWFEESA-N -1 1 400.439 0.976 20 0 HCADMM O=C(c1csc(S(=O)(=O)N2CCOCC2)c1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000540424760 1075667273 /nfs/dbraw/zinc/66/72/73/1075667273.db2.gz PRFRWFRKZREDBM-LLVKDONJSA-N -1 1 412.497 0.302 20 0 HCADMM O=C(c1csc(S(=O)(=O)N2CCOCC2)c1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000540424761 1075667375 /nfs/dbraw/zinc/66/73/75/1075667375.db2.gz PRFRWFRKZREDBM-NSHDSACASA-N -1 1 412.497 0.302 20 0 HCADMM Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000540425514 1075667872 /nfs/dbraw/zinc/66/78/72/1075667872.db2.gz UKSZQNZAOJVLLR-AWEZNQCLSA-N -1 1 420.495 0.549 20 0 HCADMM Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000540425515 1075667727 /nfs/dbraw/zinc/66/77/27/1075667727.db2.gz UKSZQNZAOJVLLR-CQSZACIVSA-N -1 1 420.495 0.549 20 0 HCADMM Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCC[C@H](c3nn[n-]n3)C2)C1 ZINC000540426035 1075667394 /nfs/dbraw/zinc/66/73/94/1075667394.db2.gz RREYCTSDXZUKQI-KBPBESRZSA-N -1 1 423.499 0.611 20 0 HCADMM Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)C1 ZINC000540426036 1075667369 /nfs/dbraw/zinc/66/73/69/1075667369.db2.gz RREYCTSDXZUKQI-KGLIPLIRSA-N -1 1 423.499 0.611 20 0 HCADMM Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCC[C@H](c3nn[n-]n3)C2)C1 ZINC000540426037 1075667317 /nfs/dbraw/zinc/66/73/17/1075667317.db2.gz RREYCTSDXZUKQI-UONOGXRCSA-N -1 1 423.499 0.611 20 0 HCADMM Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)C1 ZINC000540426038 1075667427 /nfs/dbraw/zinc/66/74/27/1075667427.db2.gz RREYCTSDXZUKQI-ZIAGYGMSSA-N -1 1 423.499 0.611 20 0 HCADMM CSC[C@H](C(=O)N1CCC[C@H](c2nn[n-]n2)C1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000540427015 1075667840 /nfs/dbraw/zinc/66/78/40/1075667840.db2.gz PZWCOBBCYXLLCT-IGQOVBAYSA-N -1 1 406.512 0.813 20 0 HCADMM CSC[C@H](C(=O)N1CCC[C@H](c2nn[n-]n2)C1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000540427016 1075667862 /nfs/dbraw/zinc/66/78/62/1075667862.db2.gz PZWCOBBCYXLLCT-REWJHTLYSA-N -1 1 406.512 0.813 20 0 HCADMM CSC[C@H](C(=O)N1CCC[C@H](c2nn[n-]n2)C1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000540427017 1075667644 /nfs/dbraw/zinc/66/76/44/1075667644.db2.gz PZWCOBBCYXLLCT-XDQVBPFNSA-N -1 1 406.512 0.813 20 0 HCADMM CSC[C@H](C(=O)N1CCC[C@@H](c2nn[n-]n2)C1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000540427018 1075667795 /nfs/dbraw/zinc/66/77/95/1075667795.db2.gz PZWCOBBCYXLLCT-YIYPIFLZSA-N -1 1 406.512 0.813 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCSC[C@H]2CO)c(OC)c1 ZINC000540464434 1075676093 /nfs/dbraw/zinc/67/60/93/1075676093.db2.gz JPAHQEZMLSZXDS-CYBMUJFWSA-N -1 1 424.566 0.945 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCSC[C@@H]2CO)c(OC)c1 ZINC000540464435 1075675999 /nfs/dbraw/zinc/67/59/99/1075675999.db2.gz JPAHQEZMLSZXDS-ZDUSSCGKSA-N -1 1 424.566 0.945 20 0 HCADMM CC(=O)N1CCN(C(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)C(C)(C)C1 ZINC000540480394 1075681629 /nfs/dbraw/zinc/68/16/29/1075681629.db2.gz MFOWHWTVCWUDHG-UHFFFAOYSA-N -1 1 405.499 0.729 20 0 HCADMM CN(C)c1nccc(CNS(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)n1 ZINC000540482360 1075682271 /nfs/dbraw/zinc/68/22/71/1075682271.db2.gz IXTFAPGRSMSDIH-UHFFFAOYSA-N -1 1 403.461 0.532 20 0 HCADMM COc1ccc([O-])c(S(=O)(=O)Nc2cc(C(=O)NCCC(N)=O)ccc2F)c1 ZINC000540497545 1075693185 /nfs/dbraw/zinc/69/31/85/1075693185.db2.gz VEAVUZPYBRUKNK-UHFFFAOYSA-N -1 1 411.411 0.946 20 0 HCADMM CCOc1cccc([C@@H]2C[C@@H]2NC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)c1 ZINC000540533886 1075704733 /nfs/dbraw/zinc/70/47/33/1075704733.db2.gz BPXZJBROXRHFFO-KBPBESRZSA-N -1 1 407.448 0.728 20 0 HCADMM CCOc1cccc([C@H]2C[C@@H]2NC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)c1 ZINC000540533889 1075704568 /nfs/dbraw/zinc/70/45/68/1075704568.db2.gz BPXZJBROXRHFFO-KGLIPLIRSA-N -1 1 407.448 0.728 20 0 HCADMM CCOc1cccc([C@H]2C[C@H]2NC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)c1 ZINC000540533891 1075704632 /nfs/dbraw/zinc/70/46/32/1075704632.db2.gz BPXZJBROXRHFFO-ZIAGYGMSSA-N -1 1 407.448 0.728 20 0 HCADMM CC(C)(O)CN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000540537444 1075706537 /nfs/dbraw/zinc/70/65/37/1075706537.db2.gz PQRKLUFIWZSWAX-UHFFFAOYSA-N -1 1 409.464 0.457 20 0 HCADMM CN1CCN(C(=O)c2cc([N-]S(=O)(=O)c3ccc4c(c3)CCO4)ccn2)CC1 ZINC000540569884 1075714243 /nfs/dbraw/zinc/71/42/43/1075714243.db2.gz FRVUBTSVPHKUPX-UHFFFAOYSA-N -1 1 402.476 0.627 20 0 HCADMM COc1ccc(NC(=O)c2ccc(S(N)(=O)=O)nc2)cc1[N-]S(C)(=O)=O ZINC000540599719 1075731440 /nfs/dbraw/zinc/73/14/40/1075731440.db2.gz OYBYEGAHLRROET-UHFFFAOYSA-N -1 1 400.438 0.361 20 0 HCADMM C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CCN1S(C)(=O)=O ZINC000540637602 1075747799 /nfs/dbraw/zinc/74/77/99/1075747799.db2.gz CFOJCMVNFVFAGF-NSHDSACASA-N -1 1 407.514 0.462 20 0 HCADMM CCn1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)NCCN(C)C)cc2)nc1C ZINC000540651157 1075753267 /nfs/dbraw/zinc/75/32/67/1075753267.db2.gz MFGOYEALLOXUOT-UHFFFAOYSA-N -1 1 415.541 0.852 20 0 HCADMM Cn1cc(S(=O)(=O)[N-]c2ccc3c(c2)nc2n3CCCCC2)c(=O)n(C)c1=O ZINC000540695701 1075764515 /nfs/dbraw/zinc/76/45/15/1075764515.db2.gz BPRIOMRVFZPRGF-UHFFFAOYSA-N -1 1 403.464 0.961 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NCC2(c3ccncc3)CCCC2)o1 ZINC000540698187 1075764829 /nfs/dbraw/zinc/76/48/29/1075764829.db2.gz PACAWVLNXCOOIO-UHFFFAOYSA-N -1 1 406.464 0.680 20 0 HCADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000540734444 1075767855 /nfs/dbraw/zinc/76/78/55/1075767855.db2.gz MJHOBKQGMRYMSV-ZDUSSCGKSA-N -1 1 419.507 0.978 20 0 HCADMM CN(Cc1cc(F)c(F)c(F)c1)C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000540794866 1075778846 /nfs/dbraw/zinc/77/88/46/1075778846.db2.gz KEBIUJXWFQPSCN-UHFFFAOYSA-N -1 1 405.354 0.733 20 0 HCADMM CC[C@@H](C)Oc1cc(CNC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)ccn1 ZINC000540800560 1075780148 /nfs/dbraw/zinc/78/01/48/1075780148.db2.gz DGNNKFIDBIRDCZ-LLVKDONJSA-N -1 1 410.452 0.546 20 0 HCADMM CC[C@H](C)Oc1cc(CNC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)ccn1 ZINC000540800564 1075780139 /nfs/dbraw/zinc/78/01/39/1075780139.db2.gz DGNNKFIDBIRDCZ-NSHDSACASA-N -1 1 410.452 0.546 20 0 HCADMM CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])C2=O ZINC000540803660 1075781350 /nfs/dbraw/zinc/78/13/50/1075781350.db2.gz GRXMPYOVVZKRHY-GOSISDBHSA-N -1 1 424.479 0.869 20 0 HCADMM CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])C2=O ZINC000540803661 1075781464 /nfs/dbraw/zinc/78/14/64/1075781464.db2.gz GRXMPYOVVZKRHY-SFHVURJKSA-N -1 1 424.479 0.869 20 0 HCADMM CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-])C2=O ZINC000540803766 1075781480 /nfs/dbraw/zinc/78/14/80/1075781480.db2.gz MQSQPFJSECOYPO-UHFFFAOYSA-N -1 1 410.452 0.479 20 0 HCADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)CSc2nnnn2CC(F)(F)F)c1 ZINC000540804316 1075781653 /nfs/dbraw/zinc/78/16/53/1075781653.db2.gz ARVRRGNFEVHGNP-UHFFFAOYSA-N -1 1 412.375 0.319 20 0 HCADMM CN1C(=O)N(CC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])C(=O)C12CCCCC2 ZINC000540805464 1075782032 /nfs/dbraw/zinc/78/20/32/1075782032.db2.gz JOEWFFSWSPQAGS-UHFFFAOYSA-N -1 1 410.452 0.575 20 0 HCADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)c1 ZINC000540805495 1075782107 /nfs/dbraw/zinc/78/21/07/1075782107.db2.gz KMWDWCXCYQZNCK-UHFFFAOYSA-N -1 1 411.461 0.733 20 0 HCADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)CCNS(=O)(=O)c2ccc(F)cc2)c1 ZINC000540805807 1075782544 /nfs/dbraw/zinc/78/25/44/1075782544.db2.gz XCDZQXICXDGCEY-UHFFFAOYSA-N -1 1 417.440 0.486 20 0 HCADMM CCn1c2ccc(C(=O)Nc3cc(S(N)(=O)=O)ccc3[O-])cc2[nH]c(=O)c1=O ZINC000540805826 1075782569 /nfs/dbraw/zinc/78/25/69/1075782569.db2.gz ZDGMNAGLZMWJLH-UHFFFAOYSA-N -1 1 404.404 0.315 20 0 HCADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc3c(c2)nc2n(c3=O)CCC2)c1 ZINC000540806392 1075782661 /nfs/dbraw/zinc/78/26/61/1075782661.db2.gz NGXMHSALCWSBKS-UHFFFAOYSA-N -1 1 400.416 0.948 20 0 HCADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(N3NC(=O)CCC3=O)cc2)c1 ZINC000540806411 1075782583 /nfs/dbraw/zinc/78/25/83/1075782583.db2.gz OYXBJIKYVCMGLO-UHFFFAOYSA-N -1 1 404.404 0.450 20 0 HCADMM NS(=O)(=O)c1ccc([O-])c(NC(=O)c2cnn(CC(=O)NC3CCCC3)c2)c1 ZINC000540806458 1075782681 /nfs/dbraw/zinc/78/26/81/1075782681.db2.gz REITVFFKIXPTJW-UHFFFAOYSA-N -1 1 407.452 0.547 20 0 HCADMM COc1cc(C(=O)CCC(=O)Nc2nnc(S(C)(=O)=O)[n-]2)cc(OC)c1OC ZINC000540819627 1075785331 /nfs/dbraw/zinc/78/53/31/1075785331.db2.gz BPDNICYCMKGDLK-UHFFFAOYSA-N -1 1 412.424 0.836 20 0 HCADMM COc1cc(C(=O)CCC(=O)Nc2nc(S(C)(=O)=O)n[n-]2)cc(OC)c1OC ZINC000540819627 1075785330 /nfs/dbraw/zinc/78/53/30/1075785330.db2.gz BPDNICYCMKGDLK-UHFFFAOYSA-N -1 1 412.424 0.836 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CCCCNC2=O)c(OC)c1 ZINC000540941387 1075807128 /nfs/dbraw/zinc/80/71/28/1075807128.db2.gz PVNOZLSLQSNORE-CYBMUJFWSA-N -1 1 419.525 0.794 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2CCCCNC2=O)c(OC)c1 ZINC000540941388 1075807079 /nfs/dbraw/zinc/80/70/79/1075807079.db2.gz PVNOZLSLQSNORE-ZDUSSCGKSA-N -1 1 419.525 0.794 20 0 HCADMM COCCn1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])c(C)n1 ZINC000541157791 1075850519 /nfs/dbraw/zinc/85/05/19/1075850519.db2.gz QCLKKHYPBMPWNW-UHFFFAOYSA-N -1 1 424.479 0.817 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(CCCn3ccnc3)CC2)o1 ZINC000541237931 1075862275 /nfs/dbraw/zinc/86/22/75/1075862275.db2.gz RYAAHWPSXABWRG-UHFFFAOYSA-N -1 1 423.495 0.572 20 0 HCADMM CCOC(=O)c1ccc(N2CC([N-]S(=O)(=O)c3cc(C(=O)OC)co3)C2)nc1 ZINC000541309199 1075872877 /nfs/dbraw/zinc/87/28/77/1075872877.db2.gz VKWNIWQLMHNVKI-UHFFFAOYSA-N -1 1 409.420 0.805 20 0 HCADMM Cn1[n-]c(CN2CCN(C(=O)COc3ccc(Br)cc3)CC2)nc1=O ZINC000542509040 1077644218 /nfs/dbraw/zinc/64/42/18/1077644218.db2.gz GXZKLYXMPUNYOZ-UHFFFAOYSA-N -1 1 410.272 0.594 20 0 HCADMM Cn1[n-]c(CN2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)nc1=O ZINC000542519480 1077662240 /nfs/dbraw/zinc/66/22/40/1077662240.db2.gz VDSKWQBXDDMAKW-UHFFFAOYSA-N -1 1 406.295 0.922 20 0 HCADMM COCCN1CCC(NC(=O)C(=O)N=c2nc(-c3cccc(OC)c3)[n-]s2)CC1 ZINC000542602968 1078173803 /nfs/dbraw/zinc/17/38/03/1078173803.db2.gz RAMHTLFCXXQMDT-UHFFFAOYSA-N -1 1 419.507 0.801 20 0 HCADMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])c1cnc2n[nH]nc2c1 ZINC000542652607 1079460150 /nfs/dbraw/zinc/46/01/50/1079460150.db2.gz UIAOLBNWHTUKLQ-UHFFFAOYSA-N -1 1 404.408 0.332 20 0 HCADMM NC(=O)CNS(=O)(=O)c1ccc(C(=O)[N-]c2csc(-c3ccccn3)n2)o1 ZINC000542670505 1079772942 /nfs/dbraw/zinc/77/29/42/1079772942.db2.gz KTUQRUKQICKGLM-UHFFFAOYSA-N -1 1 407.433 0.814 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)Nc2csc(-c3ccccn3)n2)o1 ZINC000542670505 1079772927 /nfs/dbraw/zinc/77/29/27/1079772927.db2.gz KTUQRUKQICKGLM-UHFFFAOYSA-N -1 1 407.433 0.814 20 0 HCADMM CCCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000542699397 1080242615 /nfs/dbraw/zinc/24/26/15/1080242615.db2.gz HPTVGQOCLGQDRV-UHFFFAOYSA-N -1 1 403.457 0.237 20 0 HCADMM CCOC(=O)c1ccc(S(=O)(=O)[N-]CC2CCN(S(=O)(=O)CC)CC2)o1 ZINC000542741045 1080262058 /nfs/dbraw/zinc/26/20/58/1080262058.db2.gz OITBTTFILYGYRK-UHFFFAOYSA-N -1 1 408.498 0.796 20 0 HCADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C1CCN(C(=O)NC(C)(C)C)CC1 ZINC000542747350 1080265807 /nfs/dbraw/zinc/26/58/07/1080265807.db2.gz KPYNMTUVTAMDGI-UHFFFAOYSA-N -1 1 401.489 0.837 20 0 HCADMM O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cc(=O)n2[n-]cnc2n1 ZINC000542768372 1080281779 /nfs/dbraw/zinc/28/17/79/1080281779.db2.gz LKDDDRYWZFOMJQ-UHFFFAOYSA-N -1 1 402.436 0.845 20 0 HCADMM O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1)c1cc(=O)n2[n-]cnc2n1 ZINC000542769171 1080284243 /nfs/dbraw/zinc/28/42/43/1080284243.db2.gz PHJWGDSPVCMZLS-HNNXBMFYSA-N -1 1 402.842 0.874 20 0 HCADMM O=C(NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)c1cc(=O)n2[n-]cnc2n1 ZINC000542769177 1080284348 /nfs/dbraw/zinc/28/43/48/1080284348.db2.gz PHJWGDSPVCMZLS-OAHLLOKOSA-N -1 1 402.842 0.874 20 0 HCADMM O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1cc(=O)n2[n-]cnc2n1 ZINC000542769974 1080286173 /nfs/dbraw/zinc/28/61/73/1080286173.db2.gz ZQXZGKADEQVPFS-UHFFFAOYSA-N -1 1 414.403 0.741 20 0 HCADMM Cc1cc(Br)ccc1NC(=O)CNC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000542771559 1080286582 /nfs/dbraw/zinc/28/65/82/1080286582.db2.gz JODKUJNCCRRTBE-UHFFFAOYSA-N -1 1 405.212 0.857 20 0 HCADMM O=C(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1cc(=O)n2[n-]cnc2n1 ZINC000542771793 1080285474 /nfs/dbraw/zinc/28/54/74/1080285474.db2.gz MTCRCNRUJYHWQU-UHFFFAOYSA-N -1 1 416.463 0.248 20 0 HCADMM C[C@@H](CN(C)C(=O)c1sccc1S(=O)(=O)N1CCOCC1)c1nn[n-]n1 ZINC000542772454 1080284924 /nfs/dbraw/zinc/28/49/24/1080284924.db2.gz OBZVBYXDAQTUBC-JTQLQIEISA-N -1 1 400.486 0.158 20 0 HCADMM C[C@H](CN(C)C(=O)c1sccc1S(=O)(=O)N1CCOCC1)c1nn[n-]n1 ZINC000542772455 1080285069 /nfs/dbraw/zinc/28/50/69/1080285069.db2.gz OBZVBYXDAQTUBC-SNVBAGLBSA-N -1 1 400.486 0.158 20 0 HCADMM CC1(C)c2cc(S(=O)(=O)[N-]c3cccc(S(N)(=O)=O)c3N)ccc2NC1=O ZINC000542801176 1080315792 /nfs/dbraw/zinc/31/57/92/1080315792.db2.gz SVBLPAGFUZKDDS-UHFFFAOYSA-N -1 1 410.477 0.947 20 0 HCADMM COc1ccc(S(=O)(=O)[N-]c2ccc3nncn3c2)cc1[C@]1(C)NC(=O)NC1=O ZINC000542863440 1080364491 /nfs/dbraw/zinc/36/44/91/1080364491.db2.gz PXDRAYBANRONHG-KRWDZBQOSA-N -1 1 416.419 0.593 20 0 HCADMM COc1ccc(S(=O)(=O)[N-]c2ccc3nncn3c2)cc1[C@@]1(C)NC(=O)NC1=O ZINC000542863444 1080364585 /nfs/dbraw/zinc/36/45/85/1080364585.db2.gz PXDRAYBANRONHG-QGZVFWFLSA-N -1 1 416.419 0.593 20 0 HCADMM Cn1cc(S(=O)(=O)[N-]c2cccc3c2CN(c2ccccn2)C3)c(=O)n(C)c1=O ZINC000542864857 1080366671 /nfs/dbraw/zinc/36/66/71/1080366671.db2.gz ZQWSZVVPLUNRQQ-UHFFFAOYSA-N -1 1 413.459 0.800 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)co1 ZINC000542884645 1080424529 /nfs/dbraw/zinc/42/45/29/1080424529.db2.gz NDEUJNVVRRCZRN-AWEZNQCLSA-N -1 1 419.525 0.654 20 0 HCADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)co1 ZINC000542884646 1080424621 /nfs/dbraw/zinc/42/46/21/1080424621.db2.gz NDEUJNVVRRCZRN-CQSZACIVSA-N -1 1 419.525 0.654 20 0 HCADMM COC(=O)Cc1c(C(=O)OC)sc2[n-]c(CN(C)Cc3noc(C)n3)nc(=O)c12 ZINC000542886389 1080438109 /nfs/dbraw/zinc/43/81/09/1080438109.db2.gz DNSJWJZGALRPSX-UHFFFAOYSA-N -1 1 421.435 0.810 20 0 HCADMM NC(=O)c1cccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])n1 ZINC000542892254 1080448944 /nfs/dbraw/zinc/44/89/44/1080448944.db2.gz NCCWOAUBEHYYQD-UHFFFAOYSA-N -1 1 406.420 0.159 20 0 HCADMM Cn1cc(CNC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)c(-c2ccccc2)n1 ZINC000542990237 1080756116 /nfs/dbraw/zinc/75/61/16/1080756116.db2.gz UXZVNNPSDHIIHG-UHFFFAOYSA-N -1 1 417.447 0.374 20 0 HCADMM Cc1ccnc(OC2CCN(C(=O)c3ccc(S(=O)(=O)[N-]CC(N)=O)o3)CC2)c1 ZINC000542999541 1080783919 /nfs/dbraw/zinc/78/39/19/1080783919.db2.gz GYFHKZRPWRREPS-UHFFFAOYSA-N -1 1 422.463 0.430 20 0 HCADMM COc1ccc(C(=O)NCC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])cc1OC ZINC000543015113 1080817237 /nfs/dbraw/zinc/81/72/37/1080817237.db2.gz UHZRSMCUUJMYSU-UHFFFAOYSA-N -1 1 409.420 0.425 20 0 HCADMM CCS(=O)(=O)NCCS(=O)(=O)[N-][C@H](C(=O)OC)c1ccc2ccccc2c1 ZINC000543049570 1080858297 /nfs/dbraw/zinc/85/82/97/1080858297.db2.gz RDBUEHXHFIGVOL-INIZCTEOSA-N -1 1 414.505 0.913 20 0 HCADMM CCS(=O)(=O)NCCS(=O)(=O)[N-][C@@H](C(=O)OC)c1ccc2ccccc2c1 ZINC000543049571 1080858383 /nfs/dbraw/zinc/85/83/83/1080858383.db2.gz RDBUEHXHFIGVOL-MRXNPFEDSA-N -1 1 414.505 0.913 20 0 HCADMM O=S(=O)(CCNS(=O)(=O)c1ccccc1)[N-]Cc1nc(C(F)(F)F)no1 ZINC000543069251 1080876636 /nfs/dbraw/zinc/87/66/36/1080876636.db2.gz LQNYJVNSEUITKO-UHFFFAOYSA-N -1 1 414.387 0.486 20 0 HCADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O ZINC000543088079 1080893418 /nfs/dbraw/zinc/89/34/18/1080893418.db2.gz AVVIYICKDIESGB-HNNXBMFYSA-N -1 1 411.466 0.635 20 0 HCADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000543088080 1080893431 /nfs/dbraw/zinc/89/34/31/1080893431.db2.gz AVVIYICKDIESGB-OAHLLOKOSA-N -1 1 411.466 0.635 20 0 HCADMM Cc1ccc(C2CCN(C(=O)c3ccc(S(=O)(=O)[N-]CC(N)=O)o3)CC2)cn1 ZINC000543111230 1080930737 /nfs/dbraw/zinc/93/07/37/1080930737.db2.gz SURNODQLHHPFBS-UHFFFAOYSA-N -1 1 406.464 0.766 20 0 HCADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@H]2CCCCS2(=O)=O)c(F)c1 ZINC000543168306 1081013852 /nfs/dbraw/zinc/01/38/52/1081013852.db2.gz BAORHOSZQAJGSE-LLVKDONJSA-N -1 1 414.502 0.443 20 0 HCADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@H]2CCCCS2(=O)=O)c(F)c1 ZINC000543168307 1081013769 /nfs/dbraw/zinc/01/37/69/1081013769.db2.gz BAORHOSZQAJGSE-NSHDSACASA-N -1 1 414.502 0.443 20 0 HCADMM COc1cc(NC(=O)C(=O)NCc2cnc(C)[nH]c2=O)ccc1[N-]S(C)(=O)=O ZINC000543211454 1081046278 /nfs/dbraw/zinc/04/62/78/1081046278.db2.gz GPUPCHYYTCJMQW-UHFFFAOYSA-N -1 1 409.424 0.126 20 0 HCADMM Cc1ccc(-n2[n-]c(C(=O)N3CCC(O)(CN4CCOCC4)CC3)cc2=O)cc1 ZINC000543297082 1081098424 /nfs/dbraw/zinc/09/84/24/1081098424.db2.gz KNILZHHRPPZVOT-UHFFFAOYSA-N -1 1 400.479 0.773 20 0 HCADMM Cn1[n-]c(CN2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)nc1=O ZINC000543437692 1081221247 /nfs/dbraw/zinc/22/12/47/1081221247.db2.gz PVVFKPSEECGWQU-UHFFFAOYSA-N -1 1 409.288 0.627 20 0 HCADMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])[C@@H]1CCCCS1(=O)=O ZINC000543443841 1081230367 /nfs/dbraw/zinc/23/03/67/1081230367.db2.gz OEHVZYKHTKJHHE-HNNXBMFYSA-N -1 1 418.493 0.319 20 0 HCADMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])[C@H]1CCCCS1(=O)=O ZINC000543443842 1081230416 /nfs/dbraw/zinc/23/04/16/1081230416.db2.gz OEHVZYKHTKJHHE-OAHLLOKOSA-N -1 1 418.493 0.319 20 0 HCADMM Cn1[n-]c(CN2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)nc1=O ZINC000543449346 1081232358 /nfs/dbraw/zinc/23/23/58/1081232358.db2.gz HWBIXMQBSUGLDB-UHFFFAOYSA-N -1 1 405.402 0.634 20 0 HCADMM Cc1cnc2c(cccc2S(=O)(=O)N2CCN(Cc3nc(=O)n(C)[n-]3)CC2)c1 ZINC000543449364 1081232469 /nfs/dbraw/zinc/23/24/69/1081232469.db2.gz JZBFAWHCAULZCQ-UHFFFAOYSA-N -1 1 402.480 0.472 20 0 HCADMM Cn1[n-]c(CN2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)nc1=O ZINC000543450109 1081233642 /nfs/dbraw/zinc/23/36/42/1081233642.db2.gz ZWSXBPWUFOXYMG-UHFFFAOYSA-N -1 1 416.301 0.377 20 0 HCADMM O=S(=O)(CC[N-]S(=O)(=O)c1ccc(Br)o1)N1CCSCC1 ZINC000545363364 1079044212 /nfs/dbraw/zinc/04/42/12/1079044212.db2.gz ABMANUHXEPCIRS-UHFFFAOYSA-N -1 1 419.344 0.699 20 0 HCADMM Cc1nc(C(=O)NC2(C(=O)[O-])CCSCC2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC000554084669 939298702 /nfs/dbraw/zinc/29/87/02/939298702.db2.gz LQJJRKBHXLXVJD-UHFFFAOYSA-N -1 1 405.362 0.793 20 0 HCADMM CC(=O)N1CCN(C(=O)[C@@H](C)S(=O)(=O)c2n[n-]c(-c3ccccc3F)n2)CC1 ZINC000556064261 1078405387 /nfs/dbraw/zinc/40/53/87/1078405387.db2.gz WIVIULMFPGOZMQ-LLVKDONJSA-N -1 1 409.443 0.464 20 0 HCADMM CC(=O)N1CCN(C(=O)[C@@H](C)S(=O)(=O)c2nnc(-c3ccccc3F)[n-]2)CC1 ZINC000556064261 1078405383 /nfs/dbraw/zinc/40/53/83/1078405383.db2.gz WIVIULMFPGOZMQ-LLVKDONJSA-N -1 1 409.443 0.464 20 0 HCADMM CC(=O)N1CCN(C(=O)[C@H](C)S(=O)(=O)c2n[n-]c(-c3ccccc3F)n2)CC1 ZINC000556064265 1078405426 /nfs/dbraw/zinc/40/54/26/1078405426.db2.gz WIVIULMFPGOZMQ-NSHDSACASA-N -1 1 409.443 0.464 20 0 HCADMM CC(=O)N1CCN(C(=O)[C@H](C)S(=O)(=O)c2nnc(-c3ccccc3F)[n-]2)CC1 ZINC000556064265 1078405424 /nfs/dbraw/zinc/40/54/24/1078405424.db2.gz WIVIULMFPGOZMQ-NSHDSACASA-N -1 1 409.443 0.464 20 0 HCADMM COc1ccc(-c2nc(S(=O)(=O)CC(=O)NC3CCN(C(C)=O)CC3)n[n-]2)cc1 ZINC000556073472 1078409176 /nfs/dbraw/zinc/40/91/76/1078409176.db2.gz OSUQMCSIOQTQFH-UHFFFAOYSA-N -1 1 421.479 0.381 20 0 HCADMM COc1ccc(-c2n[n-]c(S(=O)(=O)CC(=O)NC3CCN(C(C)=O)CC3)n2)cc1 ZINC000556073472 1078409173 /nfs/dbraw/zinc/40/91/73/1078409173.db2.gz OSUQMCSIOQTQFH-UHFFFAOYSA-N -1 1 421.479 0.381 20 0 HCADMM Cn1cc(S(=O)(=O)[N-]c2cc(C[S@](C)=O)ccc2Cl)c(=O)n(C)c1=O ZINC000556175862 1078484030 /nfs/dbraw/zinc/48/40/30/1078484030.db2.gz COEMWJDYIUPIBH-DEOSSOPVSA-N -1 1 405.885 0.417 20 0 HCADMM Cn1cc(S(=O)(=O)[N-]c2cc(C[S@@](C)=O)ccc2Cl)c(=O)n(C)c1=O ZINC000556175863 1078484201 /nfs/dbraw/zinc/48/42/01/1078484201.db2.gz COEMWJDYIUPIBH-XMMPIXPASA-N -1 1 405.885 0.417 20 0 HCADMM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1ccc(S(N)(=O)=O)cc1Br ZINC000556303679 1078586439 /nfs/dbraw/zinc/58/64/39/1078586439.db2.gz PHPYIXDYULWFRV-SSDOTTSWSA-N -1 1 414.303 0.315 20 0 HCADMM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]c1ccc(S(N)(=O)=O)cc1Br ZINC000556303680 1078586405 /nfs/dbraw/zinc/58/64/05/1078586405.db2.gz PHPYIXDYULWFRV-ZETCQYMHSA-N -1 1 414.303 0.315 20 0 HCADMM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccnc(C(=O)N(C)C)c3)cc2CC1 ZINC000556304012 1078585990 /nfs/dbraw/zinc/58/59/90/1078585990.db2.gz LBUSYVZBFMCFBB-UHFFFAOYSA-N -1 1 416.503 0.953 20 0 HCADMM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000556304601 1078602614 /nfs/dbraw/zinc/60/26/14/1078602614.db2.gz PQSGZEVRHSUMIO-SECBINFHSA-N -1 1 419.510 0.557 20 0 HCADMM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000556304603 1078602363 /nfs/dbraw/zinc/60/23/63/1078602363.db2.gz PQSGZEVRHSUMIO-VIFPVBQESA-N -1 1 419.510 0.557 20 0 HCADMM Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)N(CC(N)=O)CC(N)=O ZINC000556326048 1078621585 /nfs/dbraw/zinc/62/15/85/1078621585.db2.gz BOCPKGCCFJLSKP-UHFFFAOYSA-N -1 1 422.438 0.348 20 0 HCADMM CN(CC(N)=O)C(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)c1 ZINC000556350666 1078642474 /nfs/dbraw/zinc/64/24/74/1078642474.db2.gz ILRPKNJJXOKPDB-UHFFFAOYSA-N -1 1 416.459 0.564 20 0 HCADMM CN(CC(N)=O)C(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c1 ZINC000556351579 1078647673 /nfs/dbraw/zinc/64/76/73/1078647673.db2.gz BTAICGOZSKAVBP-UHFFFAOYSA-N -1 1 418.431 0.376 20 0 HCADMM Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)[N-]c3ccc4c(c3F)CCNC4=O)cnc21 ZINC000556351635 1078648300 /nfs/dbraw/zinc/64/83/00/1078648300.db2.gz DQWLZAKNHOIQJI-UHFFFAOYSA-N -1 1 419.394 0.260 20 0 HCADMM CN(CC(N)=O)C(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)c1 ZINC000556351652 1078648135 /nfs/dbraw/zinc/64/81/35/1078648135.db2.gz FZHGAYFEYQGWLV-UHFFFAOYSA-N -1 1 402.432 0.539 20 0 HCADMM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)CC(N)=O)c2)cc1C(N)=O ZINC000556351839 1078647694 /nfs/dbraw/zinc/64/76/94/1078647694.db2.gz HRUWTFDGWLABBT-UHFFFAOYSA-N -1 1 404.448 0.452 20 0 HCADMM CC(=O)Nc1cc(S(=O)(=O)Nc2cccc(C(=O)N(C)CC(N)=O)c2)ccc1[O-] ZINC000556352200 1078647805 /nfs/dbraw/zinc/64/78/05/1078647805.db2.gz NYHSVSSNLDKTRJ-UHFFFAOYSA-N -1 1 420.447 0.709 20 0 HCADMM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N(C)CC(N)=O)c2)cc1 ZINC000556352942 1078650416 /nfs/dbraw/zinc/65/04/16/1078650416.db2.gz ZMAWFASCZYIISJ-UHFFFAOYSA-N -1 1 418.475 0.747 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)[C@@H]2CCN(C)C2=O)c(OC)c1 ZINC000556437124 1078741629 /nfs/dbraw/zinc/74/16/29/1078741629.db2.gz ZLFCVMHQMYFYQX-CYBMUJFWSA-N -1 1 419.525 0.698 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)[C@H]2CCN(C)C2=O)c(OC)c1 ZINC000556437126 1078741681 /nfs/dbraw/zinc/74/16/81/1078741681.db2.gz ZLFCVMHQMYFYQX-ZDUSSCGKSA-N -1 1 419.525 0.698 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@H](C)C(=O)OC)c(OC)c1 ZINC000556476424 1078772286 /nfs/dbraw/zinc/77/22/86/1078772286.db2.gz OXSWEKMZJZEKJO-LLVKDONJSA-N -1 1 408.498 0.934 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@H](C)C(=O)OC)c(OC)c1 ZINC000556476425 1078772446 /nfs/dbraw/zinc/77/24/46/1078772446.db2.gz OXSWEKMZJZEKJO-NSHDSACASA-N -1 1 408.498 0.934 20 0 HCADMM COc1cc(NC(=O)C(=O)NCc2cc(C)nc(C)n2)ccc1[N-]S(C)(=O)=O ZINC000556551384 1078827554 /nfs/dbraw/zinc/82/75/54/1078827554.db2.gz YCBBAPVALURMJD-UHFFFAOYSA-N -1 1 407.452 0.728 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(Oc3cccnc3)nc2)o1 ZINC000556554909 1078832433 /nfs/dbraw/zinc/83/24/33/1078832433.db2.gz KUMAIHURQUXGDD-UHFFFAOYSA-N -1 1 417.403 0.878 20 0 HCADMM COc1ccc(NC(=O)C(=O)N2CC[C@H](O)C23CCCC3)cc1[N-]S(C)(=O)=O ZINC000556650109 1078895411 /nfs/dbraw/zinc/89/54/11/1078895411.db2.gz WRIFUJJIHADINR-HNNXBMFYSA-N -1 1 411.480 0.911 20 0 HCADMM COc1ccc(NC(=O)C(=O)N2CC[C@@H](O)C23CCCC3)cc1[N-]S(C)(=O)=O ZINC000556650110 1078895439 /nfs/dbraw/zinc/89/54/39/1078895439.db2.gz WRIFUJJIHADINR-OAHLLOKOSA-N -1 1 411.480 0.911 20 0 HCADMM CN(C)C(=O)N1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC1 ZINC000556662770 1078899480 /nfs/dbraw/zinc/89/94/80/1078899480.db2.gz DRJPEGQMIDTVSY-UHFFFAOYSA-N -1 1 408.477 0.185 20 0 HCADMM COc1ccccc1-n1cc(S(=O)(=O)N2CCN3CCC[C@H]3[C@@H]2C(=O)[O-])cn1 ZINC000556773228 1078952504 /nfs/dbraw/zinc/95/25/04/1078952504.db2.gz OKNOEMMCZNNQJH-DOTOQJQBSA-N -1 1 406.464 0.803 20 0 HCADMM COc1ccccc1-n1cc(S(=O)(=O)N2CCN3CCC[C@@H]3[C@@H]2C(=O)[O-])cn1 ZINC000556773229 1078952577 /nfs/dbraw/zinc/95/25/77/1078952577.db2.gz OKNOEMMCZNNQJH-NVXWUHKLSA-N -1 1 406.464 0.803 20 0 HCADMM COc1ccccc1-n1cc(S(=O)(=O)N2CCN3CCC[C@H]3[C@H]2C(=O)[O-])cn1 ZINC000556773230 1078952603 /nfs/dbraw/zinc/95/26/03/1078952603.db2.gz OKNOEMMCZNNQJH-RDJZCZTQSA-N -1 1 406.464 0.803 20 0 HCADMM COc1ccccc1-n1cc(S(=O)(=O)N2CCN3CCC[C@@H]3[C@H]2C(=O)[O-])cn1 ZINC000556773231 1078952458 /nfs/dbraw/zinc/95/24/58/1078952458.db2.gz OKNOEMMCZNNQJH-WBVHZDCISA-N -1 1 406.464 0.803 20 0 HCADMM CCOC(=O)c1cc(F)cc(S(=O)(=O)N2CCN3CCC[C@@H]3[C@H]2C(=O)[O-])c1 ZINC000556774848 1078953672 /nfs/dbraw/zinc/95/36/72/1078953672.db2.gz GESJBLXGTAFWBZ-CABCVRRESA-N -1 1 400.428 0.924 20 0 HCADMM CCOC(=O)c1cc(F)cc(S(=O)(=O)N2CCN3CCC[C@H]3[C@H]2C(=O)[O-])c1 ZINC000556774859 1078954136 /nfs/dbraw/zinc/95/41/36/1078954136.db2.gz GESJBLXGTAFWBZ-GJZGRUSLSA-N -1 1 400.428 0.924 20 0 HCADMM CCOC(=O)c1cc(F)cc(S(=O)(=O)N2CCN3CCC[C@@H]3[C@@H]2C(=O)[O-])c1 ZINC000556774861 1078954182 /nfs/dbraw/zinc/95/41/82/1078954182.db2.gz GESJBLXGTAFWBZ-HUUCEWRRSA-N -1 1 400.428 0.924 20 0 HCADMM CCOC(=O)c1cc(F)cc(S(=O)(=O)N2CCN3CCC[C@H]3[C@@H]2C(=O)[O-])c1 ZINC000556774862 1078954082 /nfs/dbraw/zinc/95/40/82/1078954082.db2.gz GESJBLXGTAFWBZ-LSDHHAIUSA-N -1 1 400.428 0.924 20 0 HCADMM CN(C)S(=O)(=O)C[C@@H]([N-]S(=O)(=O)c1cccc2nsnc21)C(F)(F)F ZINC000556803482 1078965206 /nfs/dbraw/zinc/96/52/06/1078965206.db2.gz FKTILNAIABOERT-SECBINFHSA-N -1 1 418.444 0.792 20 0 HCADMM CN(C)S(=O)(=O)C[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)C(F)(F)F ZINC000556803484 1078965030 /nfs/dbraw/zinc/96/50/30/1078965030.db2.gz FKTILNAIABOERT-VIFPVBQESA-N -1 1 418.444 0.792 20 0 HCADMM CN1C(=O)CN(C(=O)Cc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC1=O ZINC000556818190 1078988362 /nfs/dbraw/zinc/98/83/62/1078988362.db2.gz PXKWPZHPDQUTHJ-UHFFFAOYSA-N -1 1 419.434 0.996 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](Oc3ccnc(C(=O)NC)c3)C2)o1 ZINC000556902038 1079027776 /nfs/dbraw/zinc/02/77/76/1079027776.db2.gz PGQUQAUCVXHCOT-CYBMUJFWSA-N -1 1 422.463 0.626 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](Oc3ccnc(C(=O)NC)c3)C2)o1 ZINC000556902044 1079027968 /nfs/dbraw/zinc/02/79/68/1079027968.db2.gz PGQUQAUCVXHCOT-ZDUSSCGKSA-N -1 1 422.463 0.626 20 0 HCADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCN(CC(=O)N2CCCCC2)CC1 ZINC000556924030 1079035311 /nfs/dbraw/zinc/03/53/11/1079035311.db2.gz ZETHDBINCRLVJA-UHFFFAOYSA-N -1 1 414.510 0.751 20 0 HCADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)[C@H](CO)c1ccc(Cl)cc1 ZINC000556955888 1079047043 /nfs/dbraw/zinc/04/70/43/1079047043.db2.gz OOUQWOLEUBZCOO-GFCCVEGCSA-N -1 1 419.912 0.981 20 0 HCADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)[C@@H](CO)c1ccc(Cl)cc1 ZINC000556955894 1079047203 /nfs/dbraw/zinc/04/72/03/1079047203.db2.gz OOUQWOLEUBZCOO-LBPRGKRZSA-N -1 1 419.912 0.981 20 0 HCADMM COC(=O)CN1CCC[C@H](CNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C1 ZINC000556992975 1079063352 /nfs/dbraw/zinc/06/33/52/1079063352.db2.gz YTVHLFQKCILKMR-CYBMUJFWSA-N -1 1 415.512 0.971 20 0 HCADMM COC(=O)CN1CCC[C@@H](CNC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C1 ZINC000556992977 1079063882 /nfs/dbraw/zinc/06/38/82/1079063882.db2.gz YTVHLFQKCILKMR-ZDUSSCGKSA-N -1 1 415.512 0.971 20 0 HCADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@@](O)(C(N)=O)C3)cc2)cc1 ZINC000557004080 1079079165 /nfs/dbraw/zinc/07/91/65/1079079165.db2.gz BQDFKSPYJWVLSP-IBGZPJMESA-N -1 1 403.460 0.858 20 0 HCADMM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CC[C@](O)(C(N)=O)C3)cc2)cc1 ZINC000557004085 1079079035 /nfs/dbraw/zinc/07/90/35/1079079035.db2.gz BQDFKSPYJWVLSP-LJQANCHMSA-N -1 1 403.460 0.858 20 0 HCADMM O=C(NC1CCN(S(=O)(=O)[N-]CC(F)(F)F)CC1)c1ccc2cncn2c1 ZINC000557005860 1079079153 /nfs/dbraw/zinc/07/91/53/1079079153.db2.gz LROIIHJQKTUAED-UHFFFAOYSA-N -1 1 405.402 0.925 20 0 HCADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CC[C@@](O)(C(N)=O)C2)cc1 ZINC000557010570 1079082576 /nfs/dbraw/zinc/08/25/76/1079082576.db2.gz GZNXSANJTZYUKY-IBGZPJMESA-N -1 1 421.450 0.997 20 0 HCADMM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)N2CC[C@](O)(C(N)=O)C2)cc1 ZINC000557010571 1079082501 /nfs/dbraw/zinc/08/25/01/1079082501.db2.gz GZNXSANJTZYUKY-LJQANCHMSA-N -1 1 421.450 0.997 20 0 HCADMM O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000557038754 1079097320 /nfs/dbraw/zinc/09/73/20/1079097320.db2.gz ZQHNTFLERDHXED-HNNXBMFYSA-N -1 1 411.418 0.553 20 0 HCADMM O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000557038757 1079097644 /nfs/dbraw/zinc/09/76/44/1079097644.db2.gz ZQHNTFLERDHXED-OAHLLOKOSA-N -1 1 411.418 0.553 20 0 HCADMM CNS(=O)(=O)[C@@H]1CCN(C(=O)c2cc(I)ccc2[O-])C1 ZINC000564390810 1078832936 /nfs/dbraw/zinc/83/29/36/1078832936.db2.gz ZLFBFLOCUUBDIA-SECBINFHSA-N -1 1 410.233 0.761 20 0 HCADMM Cc1nc(S(=O)(=O)N2CCN(C(=O)c3c(F)ccc([O-])c3F)CC2)cn1C ZINC000580537285 1079136984 /nfs/dbraw/zinc/13/69/84/1079136984.db2.gz IERCHPFPYPURIQ-UHFFFAOYSA-N -1 1 400.407 0.859 20 0 HCADMM CC(C)(C)NS(=O)(=O)CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000598107084 1073420473 /nfs/dbraw/zinc/42/04/73/1073420473.db2.gz LHFOROIXGVVPGJ-UHFFFAOYSA-N -1 1 419.525 0.833 20 0 HCADMM COc1ccc(NC(=O)NCC(C)(C)NS(C)(=O)=O)cc1[N-]S(C)(=O)=O ZINC000598300816 1073440808 /nfs/dbraw/zinc/44/08/08/1073440808.db2.gz WQIDMXRSZJLRKD-UHFFFAOYSA-N -1 1 408.502 0.516 20 0 HCADMM COCCn1c(N)c(C(=O)CSc2nc(C(F)(F)F)cc(=O)[n-]2)c(=O)[nH]c1=O ZINC000599122244 1073558639 /nfs/dbraw/zinc/55/86/39/1073558639.db2.gz QKYAIPUXCJFGAL-UHFFFAOYSA-N -1 1 421.357 0.667 20 0 HCADMM COc1ccc(NC(=O)CCC(=O)NCCNC(C)=O)cc1[N-]S(C)(=O)=O ZINC000599302038 1073598544 /nfs/dbraw/zinc/59/85/44/1073598544.db2.gz JVUZGUQEIPBJHJ-UHFFFAOYSA-N -1 1 400.457 0.038 20 0 HCADMM O=C(NCc1nn[n-]n1)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000599333975 1073605805 /nfs/dbraw/zinc/60/58/05/1073605805.db2.gz BSCIFDCSTQJKTP-UHFFFAOYSA-N -1 1 416.419 0.702 20 0 HCADMM CCn1c(CCC(=O)NCc2nn[n-]n2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000599334098 1073600904 /nfs/dbraw/zinc/60/09/04/1073600904.db2.gz CZJDWTFYAVNORI-UHFFFAOYSA-N -1 1 406.472 0.069 20 0 HCADMM CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCc3nn[n-]n3)c2c1 ZINC000599334269 1073600797 /nfs/dbraw/zinc/60/07/97/1073600797.db2.gz IXVRPCGFWNAUCE-UHFFFAOYSA-N -1 1 405.440 0.414 20 0 HCADMM CN(c1ccc(OCC(=O)NCc2nn[n-]n2)cc1)S(=O)(=O)c1cccs1 ZINC000599334358 1073600538 /nfs/dbraw/zinc/60/05/38/1073600538.db2.gz HVRKSACHNZKDHD-UHFFFAOYSA-N -1 1 408.465 0.782 20 0 HCADMM O=C(NCc1nn[n-]n1)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000599334416 1073600645 /nfs/dbraw/zinc/60/06/45/1073600645.db2.gz LQPSFTMHADUVCJ-UHFFFAOYSA-N -1 1 404.496 0.796 20 0 HCADMM O=C(NCc1nn[n-]n1)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000599334456 1073600992 /nfs/dbraw/zinc/60/09/92/1073600992.db2.gz NBEFSRJQKVZQAZ-UHFFFAOYSA-N -1 1 418.401 0.936 20 0 HCADMM O=C(CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)NCc1nn[n-]n1 ZINC000599334472 1073600715 /nfs/dbraw/zinc/60/07/15/1073600715.db2.gz OJQYQLKUJJORAX-UHFFFAOYSA-N -1 1 412.781 0.857 20 0 HCADMM CCCCn1c2nc(CCC(=O)NCc3nn[n-]n3)n(CC(C)C)c2c(=O)[nH]c1=O ZINC000599334532 1073600929 /nfs/dbraw/zinc/60/09/29/1073600929.db2.gz PDAKJTDBBINTEM-UHFFFAOYSA-N -1 1 417.474 0.517 20 0 HCADMM CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCc1nn[n-]n1)n2C ZINC000599334622 1073599567 /nfs/dbraw/zinc/59/95/67/1073599567.db2.gz QYNUEEXMVPSOMD-UHFFFAOYSA-N -1 1 420.499 0.366 20 0 HCADMM COc1ccc(C(=O)NCc2nn[n-]n2)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000599334650 1073600460 /nfs/dbraw/zinc/60/04/60/1073600460.db2.gz OJJGDLOGQAFRSX-RYUDHWBXSA-N -1 1 408.484 0.805 20 0 HCADMM COc1ccc(C(=O)NCc2nn[n-]n2)cc1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000599334651 1073600878 /nfs/dbraw/zinc/60/08/78/1073600878.db2.gz OJJGDLOGQAFRSX-TXEJJXNPSA-N -1 1 408.484 0.805 20 0 HCADMM COc1ccc(C(=O)NCc2nn[n-]n2)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000599334653 1073600762 /nfs/dbraw/zinc/60/07/62/1073600762.db2.gz OJJGDLOGQAFRSX-VXGBXAGGSA-N -1 1 408.484 0.805 20 0 HCADMM O=C(NCc1nn[n-]n1)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 ZINC000599334874 1073599683 /nfs/dbraw/zinc/59/96/83/1073599683.db2.gz UKNDPCXEYODPIO-UHFFFAOYSA-N -1 1 404.477 0.938 20 0 HCADMM O=C(NCc1nn[n-]n1)c1sccc1S(=O)(=O)N1CCc2ccccc2C1 ZINC000599376592 1073613567 /nfs/dbraw/zinc/61/35/67/1073613567.db2.gz AECYCQRCURIFRU-UHFFFAOYSA-N -1 1 404.477 0.938 20 0 HCADMM COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NCc2nn[n-]n2)cc1 ZINC000599376608 1073614164 /nfs/dbraw/zinc/61/41/64/1073614164.db2.gz BMGNLQGAGRROGL-UHFFFAOYSA-N -1 1 402.436 0.963 20 0 HCADMM O=C(NCc1nn[n-]n1)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000599377433 1073614228 /nfs/dbraw/zinc/61/42/28/1073614228.db2.gz RWKXPWWHDBWWAA-UHFFFAOYSA-N -1 1 402.839 0.709 20 0 HCADMM CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NCc2nn[n-]n2)c1 ZINC000599377472 1073614864 /nfs/dbraw/zinc/61/48/64/1073614864.db2.gz TXUGTJDJRJPYPG-UHFFFAOYSA-N -1 1 407.500 0.760 20 0 HCADMM O=C(NCc1nn[nH]n1)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000599377561 1073614277 /nfs/dbraw/zinc/61/42/77/1073614277.db2.gz VZVGYOJOWMDJRB-UHFFFAOYSA-N -1 1 416.419 0.702 20 0 HCADMM COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)NCc1nn[n-]n1 ZINC000599377737 1073614189 /nfs/dbraw/zinc/61/41/89/1073614189.db2.gz ZCBFPZGTOPQDDI-UHFFFAOYSA-N -1 1 414.447 0.890 20 0 HCADMM O=C1CN(S(=O)(=O)c2cccc([N-]S(=O)(=O)C[C@@H]3CCCCO3)c2)CCN1 ZINC000599426175 1073621912 /nfs/dbraw/zinc/62/19/12/1073621912.db2.gz MCNRRXDRRDOZBN-AWEZNQCLSA-N -1 1 417.509 0.118 20 0 HCADMM O=C1CN(S(=O)(=O)c2cccc([N-]S(=O)(=O)C[C@H]3CCCCO3)c2)CCN1 ZINC000599426176 1073622091 /nfs/dbraw/zinc/62/20/91/1073622091.db2.gz MCNRRXDRRDOZBN-CQSZACIVSA-N -1 1 417.509 0.118 20 0 HCADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)Cn2ncn3nccc3c2=O)c1 ZINC000602322309 1073398822 /nfs/dbraw/zinc/39/88/22/1073398822.db2.gz QMMLCFAISVTKOB-UHFFFAOYSA-N -1 1 420.451 0.266 20 0 HCADMM O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-])C1CCS(=O)(=O)CC1 ZINC000602941955 1073475246 /nfs/dbraw/zinc/47/52/46/1073475246.db2.gz FVCYEGRPRVLYDK-UHFFFAOYSA-N -1 1 402.494 0.940 20 0 HCADMM CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(CS(N)(=O)=O)cc2)cc1 ZINC000603440103 1073517442 /nfs/dbraw/zinc/51/74/42/1073517442.db2.gz CCQFEURYRPWLDJ-UHFFFAOYSA-N -1 1 404.491 0.679 20 0 HCADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCNC(=O)c1ccc(Cl)cc1 ZINC000603440449 1073517971 /nfs/dbraw/zinc/51/79/71/1073517971.db2.gz GMEKUSFEIVNGJF-UHFFFAOYSA-N -1 1 400.844 0.948 20 0 HCADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCNS(=O)(=O)c1ccc(C)cc1 ZINC000603440529 1073514798 /nfs/dbraw/zinc/51/47/98/1073514798.db2.gz VKWNLRQVGJVOHB-UHFFFAOYSA-N -1 1 416.481 0.152 20 0 HCADMM COc1ccc([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)cc1S(N)(=O)=O ZINC000603461580 1073521874 /nfs/dbraw/zinc/52/18/74/1073521874.db2.gz RONMZBJHFMTWTA-UHFFFAOYSA-N -1 1 420.490 0.547 20 0 HCADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(CS(N)(=O)=O)cc2)cc1 ZINC000603463735 1073531549 /nfs/dbraw/zinc/53/15/49/1073531549.db2.gz WYDNNRIWSDHCPN-UHFFFAOYSA-N -1 1 419.506 0.184 20 0 HCADMM Cc1oc(C)c(S(N)(=O)=O)c1C(=O)[N-]c1ncn(CC(=O)N2CCCCCC2)n1 ZINC000603466842 1073532107 /nfs/dbraw/zinc/53/21/07/1073532107.db2.gz PHPVIWHWRWNVBH-UHFFFAOYSA-N -1 1 424.483 0.790 20 0 HCADMM CNS(=O)(=O)[C@H]1CCCN(C(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)C1 ZINC000603478742 1073528686 /nfs/dbraw/zinc/52/86/86/1073528686.db2.gz CSXUKFFGFSHABB-AWEZNQCLSA-N -1 1 405.480 0.223 20 0 HCADMM CNS(=O)(=O)[C@@H]1CCCN(C(=O)Cc2c(C)nc(-c3ccncc3)[n-]c2=O)C1 ZINC000603478743 1073528454 /nfs/dbraw/zinc/52/84/54/1073528454.db2.gz CSXUKFFGFSHABB-CQSZACIVSA-N -1 1 405.480 0.223 20 0 HCADMM CNS(=O)(=O)[C@H]1CCCN(C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)C1 ZINC000603479241 1073527778 /nfs/dbraw/zinc/52/77/78/1073527778.db2.gz PCVZZJARGSZAAK-AWEZNQCLSA-N -1 1 405.480 0.635 20 0 HCADMM CNS(=O)(=O)[C@@H]1CCCN(C(=O)Cc2c(C)nc(-c3cccnc3)[n-]c2=O)C1 ZINC000603479246 1073527893 /nfs/dbraw/zinc/52/78/93/1073527893.db2.gz PCVZZJARGSZAAK-CQSZACIVSA-N -1 1 405.480 0.635 20 0 HCADMM CNS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C1 ZINC000603480024 1073530653 /nfs/dbraw/zinc/53/06/53/1073530653.db2.gz BAFTYHMCJUHRQQ-LLVKDONJSA-N -1 1 407.514 0.510 20 0 HCADMM CNS(=O)(=O)[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)C1 ZINC000603480025 1073530412 /nfs/dbraw/zinc/53/04/12/1073530412.db2.gz BAFTYHMCJUHRQQ-NSHDSACASA-N -1 1 407.514 0.510 20 0 HCADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCN1CCN(c2ccccc2)CC1 ZINC000603582574 1073572705 /nfs/dbraw/zinc/57/27/05/1073572705.db2.gz JBHNUCZHMZFZMK-UHFFFAOYSA-N -1 1 407.496 0.687 20 0 HCADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCNC(=O)c1ccccc1Cl ZINC000603631726 1073584009 /nfs/dbraw/zinc/58/40/09/1073584009.db2.gz QGAHEXMHDCWXDO-UHFFFAOYSA-N -1 1 400.844 0.948 20 0 HCADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)CCc1ccc(S(N)(=O)=O)cc1 ZINC000603910051 1073662443 /nfs/dbraw/zinc/66/24/43/1073662443.db2.gz ZXBPEYOYQGASRP-UHFFFAOYSA-N -1 1 403.464 0.948 20 0 HCADMM CN(C)C(=O)CN1CCN(C(=O)c2cc(I)ccc2[O-])CC1 ZINC000603927387 1073663771 /nfs/dbraw/zinc/66/37/71/1073663771.db2.gz UAAXJMFBUIQZPK-UHFFFAOYSA-N -1 1 417.247 0.843 20 0 HCADMM COC(=O)CCNC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(N)=O)c2)cc1 ZINC000603973598 1073673332 /nfs/dbraw/zinc/67/33/32/1073673332.db2.gz CICDYOPMEQYAKI-UHFFFAOYSA-N -1 1 405.432 0.879 20 0 HCADMM CNS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc(NS(N)(=O)=O)c2)cc1 ZINC000603976944 1073673526 /nfs/dbraw/zinc/67/35/26/1073673526.db2.gz IPRYLAYVEIZCBF-UHFFFAOYSA-N -1 1 420.494 0.011 20 0 HCADMM COC(=O)CNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1 ZINC000603977026 1073673184 /nfs/dbraw/zinc/67/31/84/1073673184.db2.gz AWTMRTCWBMQRNO-UHFFFAOYSA-N -1 1 417.443 0.814 20 0 HCADMM Cc1[nH]ncc1CCCNC(=O)CCNC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000604265140 1073759975 /nfs/dbraw/zinc/75/99/75/1073759975.db2.gz SATLSVYXWNTJDH-UHFFFAOYSA-N -1 1 407.496 0.959 20 0 HCADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000604369903 1073770662 /nfs/dbraw/zinc/77/06/62/1073770662.db2.gz BWJITEPGYSCCLI-INIZCTEOSA-N -1 1 410.540 0.585 20 0 HCADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000604369904 1073770710 /nfs/dbraw/zinc/77/07/10/1073770710.db2.gz BWJITEPGYSCCLI-MRXNPFEDSA-N -1 1 410.540 0.585 20 0 HCADMM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000604372529 1073797851 /nfs/dbraw/zinc/79/78/51/1073797851.db2.gz LWARHDVCSZTYNW-HNNXBMFYSA-N -1 1 414.503 0.334 20 0 HCADMM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000604372530 1073797818 /nfs/dbraw/zinc/79/78/18/1073797818.db2.gz LWARHDVCSZTYNW-OAHLLOKOSA-N -1 1 414.503 0.334 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000604372581 1073775878 /nfs/dbraw/zinc/77/58/78/1073775878.db2.gz PFXIRFXVZFRQKE-KRWDZBQOSA-N -1 1 424.567 0.975 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000604372582 1073776099 /nfs/dbraw/zinc/77/60/99/1073776099.db2.gz PFXIRFXVZFRQKE-QGZVFWFLSA-N -1 1 424.567 0.975 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCc3ccc(S(=O)(=O)N(C)C)cc32)o1 ZINC000604375402 1073799986 /nfs/dbraw/zinc/79/99/86/1073799986.db2.gz BTKANKZXFATHND-UHFFFAOYSA-N -1 1 413.477 0.641 20 0 HCADMM Cn1cc(S(=O)(=O)[N-]Cc2nc(-c3cccc(Cl)c3)no2)c(=O)n(C)c1=O ZINC000604407203 1073794048 /nfs/dbraw/zinc/79/40/48/1073794048.db2.gz DYLQYKIXXOPXPZ-UHFFFAOYSA-N -1 1 411.827 0.266 20 0 HCADMM COC(=O)[C@@H](CO)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1 ZINC000604435281 1073806615 /nfs/dbraw/zinc/80/66/15/1073806615.db2.gz URZFVIWCETXTBA-QGZVFWFLSA-N -1 1 420.443 0.954 20 0 HCADMM O=C(N[C@H]1CCN(CCN2CCOCC2)C1)c1nn(-c2ccccc2F)cc1[O-] ZINC000604606177 1073820953 /nfs/dbraw/zinc/82/09/53/1073820953.db2.gz FWSLEPNDPYDWFA-HNNXBMFYSA-N -1 1 403.458 0.853 20 0 HCADMM O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)c1nn(-c2ccccc2F)cc1[O-] ZINC000604606178 1073821183 /nfs/dbraw/zinc/82/11/83/1073821183.db2.gz FWSLEPNDPYDWFA-OAHLLOKOSA-N -1 1 403.458 0.853 20 0 HCADMM CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)ccc1C ZINC000604737232 1073851470 /nfs/dbraw/zinc/85/14/70/1073851470.db2.gz BPGFUWGVLSWYFK-UHFFFAOYSA-N -1 1 409.489 0.990 20 0 HCADMM NC(=O)CCNC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)c1 ZINC000604737311 1073851326 /nfs/dbraw/zinc/85/13/26/1073851326.db2.gz HELDHBVGRUEUGJ-UHFFFAOYSA-N -1 1 416.459 0.379 20 0 HCADMM O=C(Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)cc1)NCCO ZINC000604737362 1073851353 /nfs/dbraw/zinc/85/13/53/1073851353.db2.gz IPRAARIRARJRFU-UHFFFAOYSA-N -1 1 403.460 0.424 20 0 HCADMM C[C@@]1(c2cccc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)NCC4)c2)NC(=O)NC1=O ZINC000604737753 1073851488 /nfs/dbraw/zinc/85/14/88/1073851488.db2.gz PPVOLRILVYNNSL-IBGZPJMESA-N -1 1 414.443 0.828 20 0 HCADMM C[C@]1(c2cccc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)NCC4)c2)NC(=O)NC1=O ZINC000604737765 1073851425 /nfs/dbraw/zinc/85/14/25/1073851425.db2.gz PPVOLRILVYNNSL-LJQANCHMSA-N -1 1 414.443 0.828 20 0 HCADMM O=C1CNC(=O)N1Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)c1 ZINC000604737774 1073851386 /nfs/dbraw/zinc/85/13/86/1073851386.db2.gz PSPAWRZZQMSLFI-UHFFFAOYSA-N -1 1 414.443 0.825 20 0 HCADMM CS(=O)(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCO)cc2)cc1 ZINC000604737790 1073851405 /nfs/dbraw/zinc/85/14/05/1073851405.db2.gz RUVIWJPAWPTVIO-UHFFFAOYSA-N -1 1 412.489 0.754 20 0 HCADMM O=C(NCCCO)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)cc1 ZINC000604738007 1073851693 /nfs/dbraw/zinc/85/16/93/1073851693.db2.gz YWDUZTOTNOPLME-UHFFFAOYSA-N -1 1 403.460 0.886 20 0 HCADMM CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)cc1S(N)(=O)=O ZINC000604738091 1073851750 /nfs/dbraw/zinc/85/17/50/1073851750.db2.gz BUNRSCOIHROAIV-UHFFFAOYSA-N -1 1 409.489 0.983 20 0 HCADMM CN1CCN(c2ccc([N-]S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)nc2)CC1 ZINC000604838583 1073858539 /nfs/dbraw/zinc/85/85/39/1073858539.db2.gz ODVVRKZGSOCVKJ-UHFFFAOYSA-N -1 1 403.464 0.965 20 0 HCADMM CN1CCN(c2ccc([N-]S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)nc2)CC1 ZINC000604838590 1073858514 /nfs/dbraw/zinc/85/85/14/1073858514.db2.gz OYKLIUWTVQATBD-UHFFFAOYSA-N -1 1 411.509 0.282 20 0 HCADMM CN1CCN(c2ccc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)NCC4)nc2)CC1 ZINC000604838635 1073858631 /nfs/dbraw/zinc/85/86/31/1073858631.db2.gz VJTQCRMPJODLGN-UHFFFAOYSA-N -1 1 401.492 0.920 20 0 HCADMM O=C(Cn1ccc([N-]S(=O)(=O)N2CCc3ccccc3C2)n1)N1CCOCC1 ZINC000604972435 1073875852 /nfs/dbraw/zinc/87/58/52/1073875852.db2.gz XVRILERIDDCUMB-UHFFFAOYSA-N -1 1 405.480 0.457 20 0 HCADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000604980415 1073876641 /nfs/dbraw/zinc/87/66/41/1073876641.db2.gz UUOBEUHJGXIYOG-UHFFFAOYSA-N -1 1 421.479 0.756 20 0 HCADMM O=C(COC1CCOCC1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000605021664 1073878972 /nfs/dbraw/zinc/87/89/72/1073878972.db2.gz IHQLZIGZSHYENY-UHFFFAOYSA-N -1 1 400.453 0.547 20 0 HCADMM Cc1ccc2c([O-])c(C(=O)N3CCN([C@@H](C)C(=O)N4CCOCC4)CC3)cnc2n1 ZINC000605022304 1073879097 /nfs/dbraw/zinc/87/90/97/1073879097.db2.gz IEDFBKMNRVDIMZ-HNNXBMFYSA-N -1 1 413.478 0.649 20 0 HCADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCN([C@@H](C)C(=O)N3CCOCC3)CC1)c2=O ZINC000605022304 1073879096 /nfs/dbraw/zinc/87/90/96/1073879096.db2.gz IEDFBKMNRVDIMZ-HNNXBMFYSA-N -1 1 413.478 0.649 20 0 HCADMM Cc1ccc2c([O-])c(C(=O)N3CCN([C@H](C)C(=O)N4CCOCC4)CC3)cnc2n1 ZINC000605022305 1073879024 /nfs/dbraw/zinc/87/90/24/1073879024.db2.gz IEDFBKMNRVDIMZ-OAHLLOKOSA-N -1 1 413.478 0.649 20 0 HCADMM Cc1ccc2c(n1)[n-]cc(C(=O)N1CCN([C@H](C)C(=O)N3CCOCC3)CC1)c2=O ZINC000605022305 1073879015 /nfs/dbraw/zinc/87/90/15/1073879015.db2.gz IEDFBKMNRVDIMZ-OAHLLOKOSA-N -1 1 413.478 0.649 20 0 HCADMM Cn1cc(N2CC[C@@H](NC(=O)c3ccc(S(=O)(=O)[N-]C(C)(C)C)o3)C2=O)cn1 ZINC000605096983 1073883638 /nfs/dbraw/zinc/88/36/38/1073883638.db2.gz WCSCEWINTYMDSU-GFCCVEGCSA-N -1 1 409.468 0.625 20 0 HCADMM Cn1cc(N2CC[C@H](NC(=O)c3ccc(S(=O)(=O)[N-]C(C)(C)C)o3)C2=O)cn1 ZINC000605096986 1073883498 /nfs/dbraw/zinc/88/34/98/1073883498.db2.gz WCSCEWINTYMDSU-LBPRGKRZSA-N -1 1 409.468 0.625 20 0 HCADMM CS(=O)(=O)NCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cc1 ZINC000605118670 1073884240 /nfs/dbraw/zinc/88/42/40/1073884240.db2.gz BLLAHUAKQXRIQK-UHFFFAOYSA-N -1 1 409.445 0.420 20 0 HCADMM COc1ccc(S(=O)(=O)[N-]c2ccc(CNS(C)(=O)=O)cc2)cc1C(N)=O ZINC000605118713 1073884234 /nfs/dbraw/zinc/88/42/34/1073884234.db2.gz GWRNNIRZCWUIQI-UHFFFAOYSA-N -1 1 413.477 0.644 20 0 HCADMM Cn1c2ccc(S(=O)(=O)[N-]c3ccc(CNS(C)(=O)=O)cc3)cc2oc1=O ZINC000605118752 1073884222 /nfs/dbraw/zinc/88/42/22/1073884222.db2.gz JYMVFKQQSDSYQY-UHFFFAOYSA-N -1 1 411.461 0.982 20 0 HCADMM CS(=O)(=O)NCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1 ZINC000605118858 1073884154 /nfs/dbraw/zinc/88/41/54/1073884154.db2.gz KKEBLOOQKUNECH-UHFFFAOYSA-N -1 1 411.461 0.868 20 0 HCADMM COCCNS(=O)(=O)c1cccc(CNC(=O)c2nc3ccccc3c(=O)[n-]2)c1 ZINC000605167409 1073894122 /nfs/dbraw/zinc/89/41/22/1073894122.db2.gz SWEALAREZCNDKL-UHFFFAOYSA-N -1 1 416.459 0.778 20 0 HCADMM Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)c3cncc([O-])c3)CC2)cc1 ZINC000605180190 1073898530 /nfs/dbraw/zinc/89/85/30/1073898530.db2.gz QLXHUYOAJCNYMB-UHFFFAOYSA-N -1 1 404.492 0.832 20 0 HCADMM O=S(=O)(C[C@H]1CCCO1)[N-]c1cc(S(=O)(=O)N2CCOCC2)ccc1O ZINC000605291469 1073942014 /nfs/dbraw/zinc/94/20/14/1073942014.db2.gz YCYKUXGMHXDGJX-GFCCVEGCSA-N -1 1 406.482 0.334 20 0 HCADMM O=S(=O)(C[C@@H]1CCCO1)[N-]c1cc(S(=O)(=O)N2CCOCC2)ccc1O ZINC000605291470 1073942050 /nfs/dbraw/zinc/94/20/50/1073942050.db2.gz YCYKUXGMHXDGJX-LBPRGKRZSA-N -1 1 406.482 0.334 20 0 HCADMM COC[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cccc(C(F)(F)F)c1 ZINC000605319679 1073962981 /nfs/dbraw/zinc/96/29/81/1073962981.db2.gz HAXSGHHTKVVHJZ-GFCCVEGCSA-N -1 1 421.397 0.769 20 0 HCADMM COC[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cccc(C(F)(F)F)c1 ZINC000605319680 1073962950 /nfs/dbraw/zinc/96/29/50/1073962950.db2.gz HAXSGHHTKVVHJZ-LBPRGKRZSA-N -1 1 421.397 0.769 20 0 HCADMM CC(=O)NCC(=O)N1CCc2cc(C(=O)N[C@H](c3nn[n-]n3)c3ccccc3)ccc21 ZINC000605331981 1073954860 /nfs/dbraw/zinc/95/48/60/1073954860.db2.gz VYZJUNKDGUGBNP-IBGZPJMESA-N -1 1 419.445 0.744 20 0 HCADMM CC(=O)NCC(=O)N1CCc2cc(C(=O)N[C@@H](c3nn[n-]n3)c3ccccc3)ccc21 ZINC000605331982 1073954935 /nfs/dbraw/zinc/95/49/35/1073954935.db2.gz VYZJUNKDGUGBNP-LJQANCHMSA-N -1 1 419.445 0.744 20 0 HCADMM Cc1nnc(CN2CCN(C(=O)Cc3c(C)nc(-c4cccnc4)[n-]c3=O)CC2)[nH]1 ZINC000605378070 1073965184 /nfs/dbraw/zinc/96/51/84/1073965184.db2.gz YHRXDPTZDMLDOO-UHFFFAOYSA-N -1 1 408.466 0.866 20 0 HCADMM CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3nn[n-]n3)cc2)cc1 ZINC000605381097 1073971347 /nfs/dbraw/zinc/97/13/47/1073971347.db2.gz JQPQDKYQHZMYBU-UHFFFAOYSA-N -1 1 415.435 0.889 20 0 HCADMM CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3nnn[n-]3)cc2)cc1 ZINC000605381097 1073971340 /nfs/dbraw/zinc/97/13/40/1073971340.db2.gz JQPQDKYQHZMYBU-UHFFFAOYSA-N -1 1 415.435 0.889 20 0 HCADMM CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)Nc2nn[n-]n2)C(C)C)c1 ZINC000605381138 1073971434 /nfs/dbraw/zinc/97/14/34/1073971434.db2.gz YTQAOGRAZPXRNL-AWEZNQCLSA-N -1 1 423.499 0.623 20 0 HCADMM CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)Nc2nnn[n-]2)C(C)C)c1 ZINC000605381138 1073971424 /nfs/dbraw/zinc/97/14/24/1073971424.db2.gz YTQAOGRAZPXRNL-AWEZNQCLSA-N -1 1 423.499 0.623 20 0 HCADMM CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)Nc2nn[n-]n2)C(C)C)c1 ZINC000605381139 1073971514 /nfs/dbraw/zinc/97/15/14/1073971514.db2.gz YTQAOGRAZPXRNL-CQSZACIVSA-N -1 1 423.499 0.623 20 0 HCADMM CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)Nc2nnn[n-]2)C(C)C)c1 ZINC000605381139 1073971509 /nfs/dbraw/zinc/97/15/09/1073971509.db2.gz YTQAOGRAZPXRNL-CQSZACIVSA-N -1 1 423.499 0.623 20 0 HCADMM O=C(NC1(c2nn[n-]n2)CCCC1)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC000605381387 1073971275 /nfs/dbraw/zinc/97/12/75/1073971275.db2.gz KOPBIOUZHJUILU-UHFFFAOYSA-N -1 1 411.513 0.465 20 0 HCADMM Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NC2(c3nn[n-]n3)CCCC2)CC1 ZINC000605381694 1073971866 /nfs/dbraw/zinc/97/18/66/1073971866.db2.gz NTEBNBYOWGJUSB-UHFFFAOYSA-N -1 1 423.499 0.791 20 0 HCADMM Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000605381932 1073972212 /nfs/dbraw/zinc/97/22/12/1073972212.db2.gz KDEROVASMLGNOW-UHFFFAOYSA-N -1 1 407.500 0.912 20 0 HCADMM O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)NC1(c2nn[n-]n2)CCCC1 ZINC000605381933 1073972035 /nfs/dbraw/zinc/97/20/35/1073972035.db2.gz KEJKXDIQLJEHQO-INIZCTEOSA-N -1 1 409.450 0.561 20 0 HCADMM O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)NC1(c2nn[n-]n2)CCCC1 ZINC000605381934 1073972091 /nfs/dbraw/zinc/97/20/91/1073972091.db2.gz KEJKXDIQLJEHQO-MRXNPFEDSA-N -1 1 409.450 0.561 20 0 HCADMM Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC2(c3nn[n-]n3)CCCC2)C1 ZINC000605382048 1073971397 /nfs/dbraw/zinc/97/13/97/1073971397.db2.gz UJFVNPNDXGZQLE-CYBMUJFWSA-N -1 1 423.499 0.791 20 0 HCADMM Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NC2(c3nn[n-]n3)CCCC2)C1 ZINC000605382049 1073971935 /nfs/dbraw/zinc/97/19/35/1073971935.db2.gz UJFVNPNDXGZQLE-ZDUSSCGKSA-N -1 1 423.499 0.791 20 0 HCADMM O=C(COC[C@@H]1CCOC1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000605399526 1073986515 /nfs/dbraw/zinc/98/65/15/1073986515.db2.gz HFRCXLPXTGQNGD-CYBMUJFWSA-N -1 1 400.453 0.405 20 0 HCADMM O=C(COC[C@H]1CCOC1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000605399527 1073986619 /nfs/dbraw/zinc/98/66/19/1073986619.db2.gz HFRCXLPXTGQNGD-ZDUSSCGKSA-N -1 1 400.453 0.405 20 0 HCADMM CC[C@H](CO)NC(=O)Cc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]C)o2)cc1 ZINC000605443778 1073999546 /nfs/dbraw/zinc/99/95/46/1073999546.db2.gz ISBSGHFRCBGVPJ-CYBMUJFWSA-N -1 1 409.464 0.870 20 0 HCADMM CC[C@@H](CO)NC(=O)Cc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]C)o2)cc1 ZINC000605443779 1073999634 /nfs/dbraw/zinc/99/96/34/1073999634.db2.gz ISBSGHFRCBGVPJ-ZDUSSCGKSA-N -1 1 409.464 0.870 20 0 HCADMM Cn1c2ncn(CCSc3nc(C(F)(F)F)cc(=O)[n-]3)c2c(=O)n(C)c1=O ZINC000605447495 1074000149 /nfs/dbraw/zinc/00/01/49/1074000149.db2.gz KYWBCWSIEGHUHW-UHFFFAOYSA-N -1 1 402.358 0.740 20 0 HCADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(C(=O)NCC(N)=O)c2)ccc1C ZINC000605493741 1074007378 /nfs/dbraw/zinc/00/73/78/1074007378.db2.gz KBFXUWRADGUZLG-UHFFFAOYSA-N -1 1 404.448 0.969 20 0 HCADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCC(N)=O)cc2)ccc1C ZINC000605496884 1074007239 /nfs/dbraw/zinc/00/72/39/1074007239.db2.gz DUQMMKTYGNJURV-UHFFFAOYSA-N -1 1 404.448 0.969 20 0 HCADMM NC(=O)c1ccn(-c2ccccc2[N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)n1 ZINC000605497785 1074005108 /nfs/dbraw/zinc/00/51/08/1074005108.db2.gz RENMELFBPQYMQR-UHFFFAOYSA-N -1 1 410.419 0.748 20 0 HCADMM COc1ccc(S(=O)(=O)[N-]c2ccccc2-n2ccc(C(N)=O)n2)cc1C(N)=O ZINC000605497792 1074005063 /nfs/dbraw/zinc/00/50/63/1074005063.db2.gz RGHBZBODFGMSGK-UHFFFAOYSA-N -1 1 415.431 0.880 20 0 HCADMM Cc1nnc(CN2CCN(C(=O)Cc3c(C)nc(-c4ccncc4)[n-]c3=O)CC2)[nH]1 ZINC000605527260 1074010498 /nfs/dbraw/zinc/01/04/98/1074010498.db2.gz QDPKIZVQXRAYQF-UHFFFAOYSA-N -1 1 408.466 0.454 20 0 HCADMM O=C(Nc1nn[n-]n1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000605530195 1074014591 /nfs/dbraw/zinc/01/45/91/1074014591.db2.gz GQQAFVZRMUMGJL-JTQLQIEISA-N -1 1 401.246 0.754 20 0 HCADMM O=C(Nc1nnn[n-]1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000605530195 1074014581 /nfs/dbraw/zinc/01/45/81/1074014581.db2.gz GQQAFVZRMUMGJL-JTQLQIEISA-N -1 1 401.246 0.754 20 0 HCADMM O=C(Nc1nn[n-]n1)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000605530206 1074014537 /nfs/dbraw/zinc/01/45/37/1074014537.db2.gz GQQAFVZRMUMGJL-SNVBAGLBSA-N -1 1 401.246 0.754 20 0 HCADMM O=C(Nc1nnn[n-]1)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000605530206 1074014528 /nfs/dbraw/zinc/01/45/28/1074014528.db2.gz GQQAFVZRMUMGJL-SNVBAGLBSA-N -1 1 401.246 0.754 20 0 HCADMM O=C(NC1(c2nn[n-]n2)CCCC1)C1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000605530341 1074014131 /nfs/dbraw/zinc/01/41/31/1074014131.db2.gz KMDXWXVUGMZCOC-UHFFFAOYSA-N -1 1 405.484 0.581 20 0 HCADMM Cc1ccc(C(=O)NC2(c3nn[n-]n3)CCCC2)cc1S(=O)(=O)N1CCOCC1 ZINC000605530681 1074015963 /nfs/dbraw/zinc/01/59/63/1074015963.db2.gz OIHROSAFYUZNGE-UHFFFAOYSA-N -1 1 420.495 0.728 20 0 HCADMM Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NC2(c3nn[n-]n3)CCCC2)CC1 ZINC000605531410 1074015323 /nfs/dbraw/zinc/01/53/23/1074015323.db2.gz ZEFFFCHWDICVBF-UHFFFAOYSA-N -1 1 422.515 0.526 20 0 HCADMM O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NC1(c2nn[n-]n2)CCCC1 ZINC000605531533 1074016072 /nfs/dbraw/zinc/01/60/72/1074016072.db2.gz IXOVKAOCOMGAMU-UHFFFAOYSA-N -1 1 400.411 0.732 20 0 HCADMM CCOc1ccc(S(=O)(=O)NCCC(=O)NC2(c3nn[n-]n3)CCCC2)cc1 ZINC000605531588 1074015936 /nfs/dbraw/zinc/01/59/36/1074015936.db2.gz JVNRCZKWNYRGKC-UHFFFAOYSA-N -1 1 408.484 0.853 20 0 HCADMM CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2(c3nn[n-]n3)CCCC2)cc1 ZINC000605532340 1074015676 /nfs/dbraw/zinc/01/56/76/1074015676.db2.gz YKYNBSAWXCMIGA-NSHDSACASA-N -1 1 421.483 0.411 20 0 HCADMM CC(C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1nn[n-]n1 ZINC000605532566 1074016007 /nfs/dbraw/zinc/01/60/07/1074016007.db2.gz HGUATESAKWWUDM-JTQLQIEISA-N -1 1 403.262 0.904 20 0 HCADMM CC(C)[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1nnn[n-]1 ZINC000605532566 1074016001 /nfs/dbraw/zinc/01/60/01/1074016001.db2.gz HGUATESAKWWUDM-JTQLQIEISA-N -1 1 403.262 0.904 20 0 HCADMM CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2nn[n-]n2)c1 ZINC000605532663 1074015758 /nfs/dbraw/zinc/01/57/58/1074015758.db2.gz LFYPHQZJJIIUFC-UHFFFAOYSA-N -1 1 409.472 0.319 20 0 HCADMM CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2nnn[n-]2)c1 ZINC000605532663 1074015746 /nfs/dbraw/zinc/01/57/46/1074015746.db2.gz LFYPHQZJJIIUFC-UHFFFAOYSA-N -1 1 409.472 0.319 20 0 HCADMM O=C(Nc1nn[n-]n1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 ZINC000605532716 1074016142 /nfs/dbraw/zinc/01/61/42/1074016142.db2.gz OQEOMWWNNBJURI-UHFFFAOYSA-N -1 1 421.483 0.463 20 0 HCADMM O=C(Nc1nnn[n-]1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 ZINC000605532716 1074016132 /nfs/dbraw/zinc/01/61/32/1074016132.db2.gz OQEOMWWNNBJURI-UHFFFAOYSA-N -1 1 421.483 0.463 20 0 HCADMM CCOc1cc(CCC[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)ccc1OC ZINC000605591267 1074022022 /nfs/dbraw/zinc/02/20/22/1074022022.db2.gz XCCQOPWAHZXLTE-UHFFFAOYSA-N -1 1 411.480 0.402 20 0 HCADMM O=C(NC1CCN(S(=O)(=O)C2CCOCC2)CC1)c1nc2ccccc2c(=O)[n-]1 ZINC000605595449 1074022339 /nfs/dbraw/zinc/02/23/39/1074022339.db2.gz HIEJOUFLUFLSLH-UHFFFAOYSA-N -1 1 420.491 0.626 20 0 HCADMM C[C@H](CO)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)cc1 ZINC000605653065 1074027263 /nfs/dbraw/zinc/02/72/63/1074027263.db2.gz GKXBKWMGRXCYLA-GFCCVEGCSA-N -1 1 403.460 0.884 20 0 HCADMM C[C@@H](CO)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)cc1 ZINC000605653066 1074027869 /nfs/dbraw/zinc/02/78/69/1074027869.db2.gz GKXBKWMGRXCYLA-LBPRGKRZSA-N -1 1 403.460 0.884 20 0 HCADMM CC[C@@H](CO)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)cc1 ZINC000605653188 1074027322 /nfs/dbraw/zinc/02/73/22/1074027322.db2.gz SCRCFJIYENLMKE-AWEZNQCLSA-N -1 1 416.463 0.964 20 0 HCADMM CC[C@H](CO)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)cc1 ZINC000605653189 1074027600 /nfs/dbraw/zinc/02/76/00/1074027600.db2.gz SCRCFJIYENLMKE-CQSZACIVSA-N -1 1 416.463 0.964 20 0 HCADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@H](C)CO)cc2)cc1C(N)=O ZINC000605653365 1074027382 /nfs/dbraw/zinc/02/73/82/1074027382.db2.gz MLFQOXVBIOLSJJ-LLVKDONJSA-N -1 1 407.448 0.706 20 0 HCADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](C)CO)cc2)cc1C(N)=O ZINC000605653366 1074027232 /nfs/dbraw/zinc/02/72/32/1074027232.db2.gz MLFQOXVBIOLSJJ-NSHDSACASA-N -1 1 407.448 0.706 20 0 HCADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(C(=O)NCC(N)=O)cc2)ccc1F ZINC000605653411 1074027439 /nfs/dbraw/zinc/02/74/39/1074027439.db2.gz OVCGNXLOMZZICL-UHFFFAOYSA-N -1 1 408.411 0.800 20 0 HCADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(C(=O)NCC(N)=O)c2)ccc1F ZINC000605654176 1074027823 /nfs/dbraw/zinc/02/78/23/1074027823.db2.gz XWXYLTVZCNJZQG-UHFFFAOYSA-N -1 1 408.411 0.800 20 0 HCADMM COc1ccc(C2([N-]S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)CCOCC2)cc1 ZINC000605790642 1074033402 /nfs/dbraw/zinc/03/34/02/1074033402.db2.gz BRYLMPMOWXZLFH-UHFFFAOYSA-N -1 1 409.464 0.077 20 0 HCADMM CN1CCN(c2ccc(CNC(=O)C(=O)N=c3nc(C(C)(C)C)[n-]s3)cn2)CC1 ZINC000606004614 1074063073 /nfs/dbraw/zinc/06/30/73/1074063073.db2.gz ZFBZBNYLQHBAHQ-UHFFFAOYSA-N -1 1 417.539 0.659 20 0 HCADMM CN1CCN(c2cc(CNC(=O)C(=O)N=c3nc(C(C)(C)C)[n-]s3)ccn2)CC1 ZINC000606008284 1074065296 /nfs/dbraw/zinc/06/52/96/1074065296.db2.gz MOOJESYXRSEYOJ-UHFFFAOYSA-N -1 1 417.539 0.659 20 0 HCADMM O=C(NCc1nn[n-]n1)C(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000606114753 1074127028 /nfs/dbraw/zinc/12/70/28/1074127028.db2.gz CVTMPVUCJLTRGU-UHFFFAOYSA-N -1 1 422.232 0.971 20 0 HCADMM CCN(CC)S(=O)(=O)c1cc(NC(=O)C(=O)NCc2nn[n-]n2)ccc1Cl ZINC000606114799 1074126378 /nfs/dbraw/zinc/12/63/78/1074126378.db2.gz DBTLSNQWVJQCKE-UHFFFAOYSA-N -1 1 415.863 0.139 20 0 HCADMM O=C(NCc1nn[n-]n1)C(=O)Nc1cc(Br)cnc1OCC(F)(F)F ZINC000606114934 1074126493 /nfs/dbraw/zinc/12/64/93/1074126493.db2.gz GWCATYVSXLONDQ-UHFFFAOYSA-N -1 1 424.137 0.553 20 0 HCADMM O=C(NCc1nn[n-]n1)C(=O)Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1 ZINC000606115436 1074128198 /nfs/dbraw/zinc/12/81/98/1074128198.db2.gz KLBFOPZHTWLXTR-UHFFFAOYSA-N -1 1 418.421 0.351 20 0 HCADMM CS(=O)(=O)c1ccc(Oc2ccc(NC(=O)C(=O)NCc3nn[n-]n3)cc2)cc1 ZINC000606115732 1074127623 /nfs/dbraw/zinc/12/76/23/1074127623.db2.gz PHGJZSDUMWNUSZ-UHFFFAOYSA-N -1 1 416.419 0.650 20 0 HCADMM O=C(NCc1nn[n-]n1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000606116141 1074095605 /nfs/dbraw/zinc/09/56/05/1074095605.db2.gz ACZOFPOXSPYPHH-UHFFFAOYSA-N -1 1 407.456 0.019 20 0 HCADMM O=C(NCc1nn[n-]n1)C(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cn2)c1 ZINC000606116156 1074095700 /nfs/dbraw/zinc/09/57/00/1074095700.db2.gz UPCAXCIHACDYBQ-UHFFFAOYSA-N -1 1 400.786 0.755 20 0 HCADMM O=C(Cc1ccc(NC(=O)C(=O)NCc2nn[n-]n2)cc1)N1CCCc2ccccc21 ZINC000606116293 1074097012 /nfs/dbraw/zinc/09/70/12/1074097012.db2.gz FYOYUVIEHYBBSE-UHFFFAOYSA-N -1 1 419.445 0.977 20 0 HCADMM O=C(NCc1nn[n-]n1)C(=O)Nc1ccc(Br)cc1Br ZINC000606116309 1074096985 /nfs/dbraw/zinc/09/69/85/1074096985.db2.gz VUCQUJHRDWNWMU-UHFFFAOYSA-N -1 1 404.022 0.980 20 0 HCADMM CN(C1CCCCC1)S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2nn[n-]n2)c1 ZINC000606116351 1074097044 /nfs/dbraw/zinc/09/70/44/1074097044.db2.gz BSFKRUZUYKZRFM-UHFFFAOYSA-N -1 1 421.483 0.408 20 0 HCADMM C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCc3nn[n-]n3)cc2)C1 ZINC000606116815 1074096414 /nfs/dbraw/zinc/09/64/14/1074096414.db2.gz GJMPYUKQUJLVDT-RYUDHWBXSA-N -1 1 421.483 0.121 20 0 HCADMM C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCc3nn[n-]n3)cc2)C1 ZINC000606116817 1074096196 /nfs/dbraw/zinc/09/61/96/1074096196.db2.gz GJMPYUKQUJLVDT-TXEJJXNPSA-N -1 1 421.483 0.121 20 0 HCADMM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCc3nn[n-]n3)cc2)C1 ZINC000606116818 1074096278 /nfs/dbraw/zinc/09/62/78/1074096278.db2.gz GJMPYUKQUJLVDT-VXGBXAGGSA-N -1 1 421.483 0.121 20 0 HCADMM O=C(Cc1ccc(NC(=O)C(=O)NCc2nn[n-]n2)cc1)N1CCc2ccccc21 ZINC000606116853 1074096455 /nfs/dbraw/zinc/09/64/55/1074096455.db2.gz HCBOXFBCTSEXMV-UHFFFAOYSA-N -1 1 405.418 0.586 20 0 HCADMM COc1ccc(NC(=O)C(=O)NCc2nn[n-]n2)cc1NC(=O)C1CCCCC1 ZINC000606116913 1074096079 /nfs/dbraw/zinc/09/60/79/1074096079.db2.gz HPXZSBLWXVRDFI-UHFFFAOYSA-N -1 1 401.427 0.982 20 0 HCADMM O=C(NCc1nn[n-]n1)C(=O)Nc1cc(Br)ccc1N1CCOCC1 ZINC000606116934 1074096253 /nfs/dbraw/zinc/09/62/53/1074096253.db2.gz IBVWXPAXCMJWDN-UHFFFAOYSA-N -1 1 410.232 0.054 20 0 HCADMM COc1ccc(NC(=O)C(=O)NCc2nn[n-]n2)cc1NC(=O)c1cccc(F)c1 ZINC000606116999 1074095641 /nfs/dbraw/zinc/09/56/41/1074095641.db2.gz JHQDMWSKKPWIBV-UHFFFAOYSA-N -1 1 413.369 0.855 20 0 HCADMM COc1ccc(C(=O)N2CCCCCC2)cc1NC(=O)C(=O)NCc1nn[n-]n1 ZINC000606117420 1074097636 /nfs/dbraw/zinc/09/76/36/1074097636.db2.gz NAYOGPGMWDHDGR-UHFFFAOYSA-N -1 1 401.427 0.479 20 0 HCADMM O=C(NCc1nn[n-]n1)C(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000606117427 1074097562 /nfs/dbraw/zinc/09/75/62/1074097562.db2.gz NIDYEPBYCLSSSH-UHFFFAOYSA-N -1 1 404.383 0.427 20 0 HCADMM CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)C(=O)NCc2nn[n-]n2)c1 ZINC000606117713 1074096751 /nfs/dbraw/zinc/09/67/51/1074096751.db2.gz SGJOMNKSFVMRTJ-UHFFFAOYSA-N -1 1 409.472 0.102 20 0 HCADMM CCN(CC)C(=O)COc1ccc(NC(=O)C(=O)NCc2nn[n-]n2)cc1Cl ZINC000606117719 1074097463 /nfs/dbraw/zinc/09/74/63/1074097463.db2.gz SGWLAFFKFMGWSK-UHFFFAOYSA-N -1 1 409.834 0.355 20 0 HCADMM CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2nn[n-]n2)c1 ZINC000606117835 1074097103 /nfs/dbraw/zinc/09/71/03/1074097103.db2.gz VRIHDDLKXFSYIV-UHFFFAOYSA-N -1 1 415.435 0.280 20 0 HCADMM O=C(NCc1nn[n-]n1)C(=O)Nc1cc(Br)ccc1Br ZINC000606117852 1074096954 /nfs/dbraw/zinc/09/69/54/1074096954.db2.gz VSQVGVOTFCOEBW-UHFFFAOYSA-N -1 1 404.022 0.980 20 0 HCADMM Cc1ccc(NC(=O)C(=O)NCc2nn[n-]n2)cc1S(=O)(=O)N1CCCCCC1 ZINC000606117900 1074097071 /nfs/dbraw/zinc/09/70/71/1074097071.db2.gz WNNPWHNNZWKXCC-UHFFFAOYSA-N -1 1 421.483 0.328 20 0 HCADMM O=C(NCc1nn[n-]n1)C(=O)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 ZINC000606117995 1074096908 /nfs/dbraw/zinc/09/69/08/1074096908.db2.gz ZCIDGYMHPHUJNM-UHFFFAOYSA-N -1 1 406.468 0.702 20 0 HCADMM CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2nn[n-]n2)cc1 ZINC000606118007 1074096778 /nfs/dbraw/zinc/09/67/78/1074096778.db2.gz ZHSSBWBYCQDAIL-UHFFFAOYSA-N -1 1 421.483 0.408 20 0 HCADMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(N3CCNC(=O)C3)nc2)ccc1F ZINC000606142780 1074134403 /nfs/dbraw/zinc/13/44/03/1074134403.db2.gz LZZMWRTUODSKKE-UHFFFAOYSA-N -1 1 407.427 0.916 20 0 HCADMM CN(C)C(=O)c1cc([N-]S(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)ccn1 ZINC000606145141 1074134583 /nfs/dbraw/zinc/13/45/83/1074134583.db2.gz HLOTUFSFQZZKEH-UHFFFAOYSA-N -1 1 424.504 0.546 20 0 HCADMM CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N-]S(=O)(=O)CCOC ZINC000606342282 1074161171 /nfs/dbraw/zinc/16/11/71/1074161171.db2.gz GMPGUVVUNSURKZ-UHFFFAOYSA-N -1 1 407.514 0.527 20 0 HCADMM CCN(CC)S(=O)(=O)c1ccc(NCCO)c([N-]S(=O)(=O)CCOC)c1 ZINC000606342380 1074156393 /nfs/dbraw/zinc/15/63/93/1074156393.db2.gz XKBGTEAUEXQFAK-UHFFFAOYSA-N -1 1 409.530 0.509 20 0 HCADMM CCn1nnnc1-c1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1 ZINC000606344148 1074156363 /nfs/dbraw/zinc/15/63/63/1074156363.db2.gz LOLDIFBXCPYLFG-UHFFFAOYSA-N -1 1 413.419 0.691 20 0 HCADMM CCn1nnnc1-c1cccc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)c1 ZINC000606344234 1074156344 /nfs/dbraw/zinc/15/63/44/1074156344.db2.gz SVTPSTBGXZBVLG-UHFFFAOYSA-N -1 1 408.465 0.808 20 0 HCADMM CS(=O)(=O)[N-]c1nnc(NC(=O)c2cc(N3CC[NH+]=C3[O-])ccc2F)s1 ZINC000606356144 1074158680 /nfs/dbraw/zinc/15/86/80/1074158680.db2.gz RNFWAQRWBLORQC-UHFFFAOYSA-N -1 1 400.417 0.831 20 0 HCADMM CS(=O)(=O)c1cccc(Oc2ccc(NC(=O)C(=O)NCc3nn[n-]n3)cc2)c1 ZINC000606726226 1074217132 /nfs/dbraw/zinc/21/71/32/1074217132.db2.gz BBNPIBFMHAPEHY-UHFFFAOYSA-N -1 1 416.419 0.650 20 0 HCADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCN(c2ccnc(N(C)C)n2)CC1 ZINC000606791443 1074228968 /nfs/dbraw/zinc/22/89/68/1074228968.db2.gz IZERZNIFEADPQH-UHFFFAOYSA-N -1 1 410.482 0.799 20 0 HCADMM O=C1C[C@@H](Cc2ccc([N-]S(=O)(=O)c3cccc(-n4cnnn4)c3)cc2)C(=O)N1 ZINC000606826454 1074229941 /nfs/dbraw/zinc/22/99/41/1074229941.db2.gz AFZVCUOBGJMHPU-CYBMUJFWSA-N -1 1 412.431 0.668 20 0 HCADMM O=C1C[C@H](Cc2ccc([N-]S(=O)(=O)c3cccc(-n4cnnn4)c3)cc2)C(=O)N1 ZINC000606826455 1074230094 /nfs/dbraw/zinc/23/00/94/1074230094.db2.gz AFZVCUOBGJMHPU-ZDUSSCGKSA-N -1 1 412.431 0.668 20 0 HCADMM O=C1C[C@@H](Cc2ccc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)NC4=O)cc2)C(=O)N1 ZINC000606827185 1074230198 /nfs/dbraw/zinc/23/01/98/1074230198.db2.gz BCKCKFPOIVXTPS-LLVKDONJSA-N -1 1 413.411 0.576 20 0 HCADMM O=C1C[C@H](Cc2ccc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)NC4=O)cc2)C(=O)N1 ZINC000606827195 1074230144 /nfs/dbraw/zinc/23/01/44/1074230144.db2.gz BCKCKFPOIVXTPS-NSHDSACASA-N -1 1 413.411 0.576 20 0 HCADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)cc1C(N)=O ZINC000606827346 1074229913 /nfs/dbraw/zinc/22/99/13/1074229913.db2.gz GCDZZFFYCCRGJO-GFCCVEGCSA-N -1 1 417.443 0.800 20 0 HCADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C[C@H]3CC(=O)NC3=O)cc2)cc1C(N)=O ZINC000606827347 1074230073 /nfs/dbraw/zinc/23/00/73/1074230073.db2.gz GCDZZFFYCCRGJO-LBPRGKRZSA-N -1 1 417.443 0.800 20 0 HCADMM CC(C)(C(N)=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1 ZINC000606827534 1074230048 /nfs/dbraw/zinc/23/00/48/1074230048.db2.gz ZKAPGGDDNGHQLS-UHFFFAOYSA-N -1 1 402.432 0.780 20 0 HCADMM NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)cc1 ZINC000606828294 1074230737 /nfs/dbraw/zinc/23/07/37/1074230737.db2.gz PEIJITLHYPSNGK-GFCCVEGCSA-N -1 1 423.472 0.340 20 0 HCADMM NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C[C@H]3CC(=O)NC3=O)cc2)cc1 ZINC000606828304 1074230783 /nfs/dbraw/zinc/23/07/83/1074230783.db2.gz PEIJITLHYPSNGK-LBPRGKRZSA-N -1 1 423.472 0.340 20 0 HCADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)o1 ZINC000606834067 1074234467 /nfs/dbraw/zinc/23/44/67/1074234467.db2.gz GDWXKAXMXZBODE-LLVKDONJSA-N -1 1 422.529 0.002 20 0 HCADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)o1 ZINC000606834070 1074234526 /nfs/dbraw/zinc/23/45/26/1074234526.db2.gz GDWXKAXMXZBODE-NSHDSACASA-N -1 1 422.529 0.002 20 0 HCADMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])C1C[C@@H]2COC[C@H](C1)C2=O ZINC000606928008 1074249707 /nfs/dbraw/zinc/24/97/07/1074249707.db2.gz JKBUXHJMMHBYHA-AGUYFDCRSA-N -1 1 424.475 0.593 20 0 HCADMM O=C(CNC(=O)c1ccccn1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000606928911 1074249588 /nfs/dbraw/zinc/24/95/88/1074249588.db2.gz RDZMKEOLOSAXAW-UHFFFAOYSA-N -1 1 420.447 0.177 20 0 HCADMM O=C(CNC(=O)c1ccccn1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000606929258 1074249569 /nfs/dbraw/zinc/24/95/69/1074249569.db2.gz XSTXFNLDZVXOSM-UHFFFAOYSA-N -1 1 404.448 0.940 20 0 HCADMM Cc1cc(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000607047659 1074268428 /nfs/dbraw/zinc/26/84/28/1074268428.db2.gz DHYRPLLLNXIPRV-CYBMUJFWSA-N -1 1 402.455 0.417 20 0 HCADMM Cc1cc(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000607047659 1074268420 /nfs/dbraw/zinc/26/84/20/1074268420.db2.gz DHYRPLLLNXIPRV-CYBMUJFWSA-N -1 1 402.455 0.417 20 0 HCADMM Cc1cc(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000607047666 1074268386 /nfs/dbraw/zinc/26/83/86/1074268386.db2.gz DHYRPLLLNXIPRV-ZDUSSCGKSA-N -1 1 402.455 0.417 20 0 HCADMM Cc1cc(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000607047666 1074268379 /nfs/dbraw/zinc/26/83/79/1074268379.db2.gz DHYRPLLLNXIPRV-ZDUSSCGKSA-N -1 1 402.455 0.417 20 0 HCADMM CC(=O)N[C@@H](CC(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1)C(N)=O ZINC000607047902 1074268516 /nfs/dbraw/zinc/26/85/16/1074268516.db2.gz KJCBGAKQEISKNC-KRWDZBQOSA-N -1 1 418.475 0.484 20 0 HCADMM COc1ccc(S(=O)(=O)CCC(=O)NC2(c3nn[n-]n3)CCCC2)cc1OC ZINC000607118324 1074274610 /nfs/dbraw/zinc/27/46/10/1074274610.db2.gz PWRVJGNIDMNOHW-UHFFFAOYSA-N -1 1 409.468 0.966 20 0 HCADMM Cn1cc(S(=O)(=O)[N-]C2(c3cccc(Br)c3)CC2)c(=O)n(C)c1=O ZINC000607162259 1074281713 /nfs/dbraw/zinc/28/17/13/1074281713.db2.gz YIWGALXKKMWNOC-UHFFFAOYSA-N -1 1 414.281 0.814 20 0 HCADMM COc1cc(NC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)ccc1[N-]S(C)(=O)=O ZINC000607208203 1074286047 /nfs/dbraw/zinc/28/60/47/1074286047.db2.gz YGSBVRKJQYEYIA-LBPRGKRZSA-N -1 1 420.513 0.612 20 0 HCADMM COc1cc(NC(=O)N2CCN(S(C)(=O)=O)CC2)ccc1[N-]S(C)(=O)=O ZINC000607208333 1074285895 /nfs/dbraw/zinc/28/58/95/1074285895.db2.gz AQEYOXNVAMQGNW-UHFFFAOYSA-N -1 1 406.486 0.176 20 0 HCADMM COc1cc(NC(=O)N[C@H](C)C(=O)N2CCOCC2)ccc1[N-]S(C)(=O)=O ZINC000607208610 1074285955 /nfs/dbraw/zinc/28/59/55/1074285955.db2.gz UDJDYBDPGUONHO-LLVKDONJSA-N -1 1 400.457 0.436 20 0 HCADMM COc1cc(NC(=O)N[C@@H](C)C(=O)N2CCOCC2)ccc1[N-]S(C)(=O)=O ZINC000607208612 1074286066 /nfs/dbraw/zinc/28/60/66/1074286066.db2.gz UDJDYBDPGUONHO-NSHDSACASA-N -1 1 400.457 0.436 20 0 HCADMM CCS(=O)(=O)N1CCN(C(=O)Nc2ccc([N-]S(C)(=O)=O)c(OC)c2)CC1 ZINC000607209198 1074286000 /nfs/dbraw/zinc/28/60/00/1074286000.db2.gz YTOSUJOGRKRWNZ-UHFFFAOYSA-N -1 1 420.513 0.566 20 0 HCADMM CCN(CCNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)c1cccc(C)c1 ZINC000607281146 1074303505 /nfs/dbraw/zinc/30/35/05/1074303505.db2.gz YZNYIANGPIYBAX-UHFFFAOYSA-N -1 1 408.480 0.608 20 0 HCADMM COc1cc(NC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)cc(OC)c1OC ZINC000607281164 1074303376 /nfs/dbraw/zinc/30/33/76/1074303376.db2.gz DNNKOGFUSKHEDB-UHFFFAOYSA-N -1 1 413.408 0.321 20 0 HCADMM COc1ccc(CCNC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)cc1OC ZINC000607281166 1074303640 /nfs/dbraw/zinc/30/36/40/1074303640.db2.gz DTVKZZGJGGNXEK-UHFFFAOYSA-N -1 1 411.436 0.033 20 0 HCADMM COc1cccc(N2CCN(C(=O)c3ccc(S(=O)(=O)[N-]CC(N)=O)o3)CC2)c1 ZINC000607281187 1074303455 /nfs/dbraw/zinc/30/34/55/1074303455.db2.gz KNACWHFJSJAZSN-UHFFFAOYSA-N -1 1 422.463 0.014 20 0 HCADMM CN(CCOc1ccc(Cl)cc1)C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000607281734 1074304624 /nfs/dbraw/zinc/30/46/24/1074304624.db2.gz CADJBYVGVROCRT-UHFFFAOYSA-N -1 1 415.855 0.848 20 0 HCADMM CN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000607281747 1074304607 /nfs/dbraw/zinc/30/46/07/1074304607.db2.gz DEGXSHALNMLAIV-UHFFFAOYSA-N -1 1 417.390 0.917 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)o1 ZINC000607281852 1074304678 /nfs/dbraw/zinc/30/46/78/1074304678.db2.gz RIOMDAFSZHTYMX-UHFFFAOYSA-N -1 1 410.427 0.145 20 0 HCADMM Cc1ccccc1CN1CCN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)CC1 ZINC000607281919 1074304129 /nfs/dbraw/zinc/30/41/29/1074304129.db2.gz ARGDCSZZRUMIKR-UHFFFAOYSA-N -1 1 420.491 0.310 20 0 HCADMM CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000607281929 1074303973 /nfs/dbraw/zinc/30/39/73/1074303973.db2.gz CCMVFDVTXFCRAM-UHFFFAOYSA-N -1 1 409.420 0.434 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(Cc3cccs3)CC2)o1 ZINC000607281935 1074304180 /nfs/dbraw/zinc/30/41/80/1074304180.db2.gz DHHIIIHEXHXPAG-UHFFFAOYSA-N -1 1 412.493 0.063 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NCCOc2ccc(Cl)cc2)o1 ZINC000607281973 1074304101 /nfs/dbraw/zinc/30/41/01/1074304101.db2.gz KZXYEFOORQDFNG-UHFFFAOYSA-N -1 1 401.828 0.505 20 0 HCADMM COc1ccc(OCCN(C)C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)cc1 ZINC000607282004 1074304147 /nfs/dbraw/zinc/30/41/47/1074304147.db2.gz OTPOYVABAPYDGC-UHFFFAOYSA-N -1 1 411.436 0.203 20 0 HCADMM COc1ccc(CN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C2CC2)cc1 ZINC000607282013 1074304647 /nfs/dbraw/zinc/30/46/47/1074304647.db2.gz PMHRNZJLWJVUMW-UHFFFAOYSA-N -1 1 407.448 0.857 20 0 HCADMM Cc1cccc(CN2CCN(C(=O)c3ccc(S(=O)(=O)[N-]CC(N)=O)o3)CC2)c1 ZINC000607282028 1074304530 /nfs/dbraw/zinc/30/45/30/1074304530.db2.gz RMTFCFVLVXCUIL-UHFFFAOYSA-N -1 1 420.491 0.310 20 0 HCADMM COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)c1 ZINC000607282029 1074304474 /nfs/dbraw/zinc/30/44/74/1074304474.db2.gz RWDLCIUOMWUHDE-JTQLQIEISA-N -1 1 411.436 0.551 20 0 HCADMM COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)c1 ZINC000607282030 1074304460 /nfs/dbraw/zinc/30/44/60/1074304460.db2.gz RWDLCIUOMWUHDE-SNVBAGLBSA-N -1 1 411.436 0.551 20 0 HCADMM C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)c1ccc(-n2cncn2)cc1 ZINC000607282069 1074304069 /nfs/dbraw/zinc/30/40/69/1074304069.db2.gz YYQCBSFNSQCRLF-LLVKDONJSA-N -1 1 418.435 0.115 20 0 HCADMM C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)c1ccc(-n2cncn2)cc1 ZINC000607282070 1074304088 /nfs/dbraw/zinc/30/40/88/1074304088.db2.gz YYQCBSFNSQCRLF-NSHDSACASA-N -1 1 418.435 0.115 20 0 HCADMM CC(C)C(=O)Nc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)cc1 ZINC000607282091 1074304026 /nfs/dbraw/zinc/30/40/26/1074304026.db2.gz BRFQKDVJJKZMFT-UHFFFAOYSA-N -1 1 408.436 0.890 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)o1 ZINC000607282098 1074303939 /nfs/dbraw/zinc/30/39/39/1074303939.db2.gz DIXZOUJOUINHHE-UHFFFAOYSA-N -1 1 420.491 0.044 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)o1 ZINC000607282171 1074303925 /nfs/dbraw/zinc/30/39/25/1074303925.db2.gz NBWIEBMXMKVUKG-UHFFFAOYSA-N -1 1 403.319 0.617 20 0 HCADMM Cc1nc2ccccc2n1CCCNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000607282203 1074303439 /nfs/dbraw/zinc/30/34/39/1074303439.db2.gz AMKLOJXGCSXBIW-UHFFFAOYSA-N -1 1 419.463 0.521 20 0 HCADMM COc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)[N-]CC(N)=O)o3)nc21 ZINC000607282294 1074304544 /nfs/dbraw/zinc/30/45/44/1074304544.db2.gz ZYYUOFURQHCZSP-UHFFFAOYSA-N -1 1 410.433 0.914 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NCc2cn3cc(Cl)ccc3n2)o1 ZINC000607282341 1074306238 /nfs/dbraw/zinc/30/62/38/1074306238.db2.gz LIZHGRSBUDXMKF-UHFFFAOYSA-N -1 1 411.827 0.274 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccccc2OC(F)(F)F)o1 ZINC000607282544 1074306179 /nfs/dbraw/zinc/30/61/79/1074306179.db2.gz UTIJXDDDHPIFJS-UHFFFAOYSA-N -1 1 421.353 0.872 20 0 HCADMM Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000607282645 1074305805 /nfs/dbraw/zinc/30/58/05/1074305805.db2.gz ICKLJLQIKLMGSH-UHFFFAOYSA-N -1 1 422.463 0.371 20 0 HCADMM Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)c1C ZINC000607282667 1074305732 /nfs/dbraw/zinc/30/57/32/1074305732.db2.gz KNOPVZRSIYEPSL-UHFFFAOYSA-N -1 1 422.463 0.371 20 0 HCADMM Cc1cccc(N2CCN(C(=O)c3ccc(S(=O)(=O)[N-]CC(N)=O)o3)CC2)c1C ZINC000607282681 1074305615 /nfs/dbraw/zinc/30/56/15/1074305615.db2.gz LYOWDVDZEUCWJI-UHFFFAOYSA-N -1 1 420.491 0.622 20 0 HCADMM C[C@@H](OCCCNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)c1ccccc1 ZINC000607282710 1074305705 /nfs/dbraw/zinc/30/57/05/1074305705.db2.gz PYYBHAIQYQXFHE-CYBMUJFWSA-N -1 1 409.464 0.941 20 0 HCADMM C[C@H](OCCCNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)c1ccccc1 ZINC000607282711 1074305567 /nfs/dbraw/zinc/30/55/67/1074305567.db2.gz PYYBHAIQYQXFHE-ZDUSSCGKSA-N -1 1 409.464 0.941 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)o1 ZINC000607282836 1074305325 /nfs/dbraw/zinc/30/53/25/1074305325.db2.gz GMYRLMAQQHCRRA-UHFFFAOYSA-N -1 1 405.354 0.992 20 0 HCADMM CN(Cc1ccccc1N1CCCC1)C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000607282838 1074305224 /nfs/dbraw/zinc/30/52/24/1074305224.db2.gz GOTXFPDUCCCKLT-UHFFFAOYSA-N -1 1 420.491 0.916 20 0 HCADMM CN(Cc1nc2ccccc2s1)C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000607282853 1074305760 /nfs/dbraw/zinc/30/57/60/1074305760.db2.gz LMSZODDCCVVLNS-UHFFFAOYSA-N -1 1 408.461 0.925 20 0 HCADMM CN(CCOc1cccc(Cl)c1)C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000607282931 1074305312 /nfs/dbraw/zinc/30/53/12/1074305312.db2.gz WGNOBWJCWQIMTM-UHFFFAOYSA-N -1 1 415.855 0.848 20 0 HCADMM CCN(CCCNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)c1ccccc1 ZINC000607282946 1074305295 /nfs/dbraw/zinc/30/52/95/1074305295.db2.gz ZJYKLUQBAAZFHN-UHFFFAOYSA-N -1 1 408.480 0.690 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)o1 ZINC000607283081 1074305087 /nfs/dbraw/zinc/30/50/87/1074305087.db2.gz LHSAYNXFSWSOLQ-AWEZNQCLSA-N -1 1 411.411 0.396 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)o1 ZINC000607283083 1074305109 /nfs/dbraw/zinc/30/51/09/1074305109.db2.gz LHSAYNXFSWSOLQ-CQSZACIVSA-N -1 1 411.411 0.396 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NCc2cccc(Cn3ccnc3)c2)o1 ZINC000607283090 1074305189 /nfs/dbraw/zinc/30/51/89/1074305189.db2.gz IBIDUVVOXGXJJB-UHFFFAOYSA-N -1 1 417.447 0.218 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(Cn3cccn3)c2)o1 ZINC000607283124 1074304988 /nfs/dbraw/zinc/30/49/88/1074304988.db2.gz JLEGQEUIZKQUPD-UHFFFAOYSA-N -1 1 403.420 0.540 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(Oc3cnccn3)c2)o1 ZINC000607283139 1074305043 /nfs/dbraw/zinc/30/50/43/1074305043.db2.gz KLLPLQJTMSSHKQ-UHFFFAOYSA-N -1 1 417.403 0.878 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NCC2(c3ccccc3)CCOCC2)o1 ZINC000607283249 1074304953 /nfs/dbraw/zinc/30/49/53/1074304953.db2.gz GQGLRXOUANQZMC-UHFFFAOYSA-N -1 1 421.475 0.521 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(NC(=O)C3CC3)c2)o1 ZINC000607283250 1074304967 /nfs/dbraw/zinc/30/49/67/1074304967.db2.gz VUIRGQQWAVXICW-UHFFFAOYSA-N -1 1 406.420 0.644 20 0 HCADMM COc1ccc([C@@H](NC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C2CC2)cc1 ZINC000607283258 1074305256 /nfs/dbraw/zinc/30/52/56/1074305256.db2.gz WHHOLKCVUOSLFK-KRWDZBQOSA-N -1 1 407.448 0.933 20 0 HCADMM COc1ccc([C@H](NC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C2CC2)cc1 ZINC000607283260 1074305280 /nfs/dbraw/zinc/30/52/80/1074305280.db2.gz WHHOLKCVUOSLFK-QGZVFWFLSA-N -1 1 407.448 0.933 20 0 HCADMM Cc1cc(C)n(-c2ccc(NC(=O)c3ccc(S(=O)(=O)[N-]CC(N)=O)o3)cn2)n1 ZINC000607283387 1074307382 /nfs/dbraw/zinc/30/73/82/1074307382.db2.gz VMQHBQYKYHIQIM-UHFFFAOYSA-N -1 1 418.435 0.493 20 0 HCADMM CC(C)C(=O)Nc1ccc(CNC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)cc1 ZINC000607283405 1074307250 /nfs/dbraw/zinc/30/72/50/1074307250.db2.gz YYWZFBPIBIPVAT-UHFFFAOYSA-N -1 1 422.463 0.568 20 0 HCADMM CCN(CCNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)c1ccccc1C ZINC000607283639 1074306566 /nfs/dbraw/zinc/30/65/66/1074306566.db2.gz UMVHCCAPDSWEFJ-UHFFFAOYSA-N -1 1 408.480 0.608 20 0 HCADMM CCCC(=O)Nc1cccc(CNC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)c1 ZINC000607283765 1074306555 /nfs/dbraw/zinc/30/65/55/1074306555.db2.gz OZMIKHRPFVFWRJ-UHFFFAOYSA-N -1 1 422.463 0.712 20 0 HCADMM CN(CCCNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)c1ccccc1F ZINC000607283966 1074306148 /nfs/dbraw/zinc/30/61/48/1074306148.db2.gz JSEZWDUMUYOOMH-UHFFFAOYSA-N -1 1 412.443 0.439 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccccc2N2CCCC2)o1 ZINC000607283981 1074306001 /nfs/dbraw/zinc/30/60/01/1074306001.db2.gz KDQZFTCZCUJRIL-UHFFFAOYSA-N -1 1 406.464 0.573 20 0 HCADMM Cc1ccccc1OCCCN(C)C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000607284138 1074306167 /nfs/dbraw/zinc/30/61/67/1074306167.db2.gz BCXPFGXEJZNPGL-UHFFFAOYSA-N -1 1 409.464 0.893 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NCc2cccc(OC(F)F)c2)o1 ZINC000607284322 1074307291 /nfs/dbraw/zinc/30/72/91/1074307291.db2.gz BKSXVCGVDFVHOK-UHFFFAOYSA-N -1 1 403.363 0.575 20 0 HCADMM C[C@H](COc1ccc(F)cc1F)NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000607284541 1074307710 /nfs/dbraw/zinc/30/77/10/1074307710.db2.gz DJCBGLIGTHVKGR-SECBINFHSA-N -1 1 417.390 0.519 20 0 HCADMM C[C@@H](COc1ccc(F)cc1F)NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000607284543 1074307780 /nfs/dbraw/zinc/30/77/80/1074307780.db2.gz DJCBGLIGTHVKGR-VIFPVBQESA-N -1 1 417.390 0.519 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cccc(CN3CCOCC3)c2)o1 ZINC000607284544 1074307761 /nfs/dbraw/zinc/30/77/61/1074307761.db2.gz DTICIJKJUQXEBY-UHFFFAOYSA-N -1 1 422.463 0.128 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)o1 ZINC000607284581 1074307749 /nfs/dbraw/zinc/30/77/49/1074307749.db2.gz QWXRYBYMHKNMNE-GFCCVEGCSA-N -1 1 421.431 0.749 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)o1 ZINC000607284588 1074307805 /nfs/dbraw/zinc/30/78/05/1074307805.db2.gz QWXRYBYMHKNMNE-LBPRGKRZSA-N -1 1 421.431 0.749 20 0 HCADMM CC(C)(CNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)c1ccc2c(c1)OCO2 ZINC000607284815 1074307671 /nfs/dbraw/zinc/30/76/71/1074307671.db2.gz QZLZJBOOHXKEQY-UHFFFAOYSA-N -1 1 423.447 0.480 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc(OCC3CC3)nc2)o1 ZINC000607284830 1074307193 /nfs/dbraw/zinc/30/71/93/1074307193.db2.gz SBOODPOFRQSSAN-UHFFFAOYSA-N -1 1 408.436 0.157 20 0 HCADMM CC(C)COC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)c1ccco1 ZINC000607285293 1074307739 /nfs/dbraw/zinc/30/77/39/1074307739.db2.gz SRIUHKLODBVXNV-GFCCVEGCSA-N -1 1 413.452 0.780 20 0 HCADMM CC(C)COC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)c1ccco1 ZINC000607285295 1074307635 /nfs/dbraw/zinc/30/76/35/1074307635.db2.gz SRIUHKLODBVXNV-LBPRGKRZSA-N -1 1 413.452 0.780 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NCc2cccc(OCC(F)F)c2)o1 ZINC000607285346 1074307853 /nfs/dbraw/zinc/30/78/53/1074307853.db2.gz VHNJHOPEAMKOJE-UHFFFAOYSA-N -1 1 417.390 0.617 20 0 HCADMM COc1c(C)cc(CN(C)C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)cc1C ZINC000607285379 1074307817 /nfs/dbraw/zinc/30/78/17/1074307817.db2.gz XKVWEMWGFRUROC-UHFFFAOYSA-N -1 1 409.464 0.941 20 0 HCADMM CCN(Cc1c(F)cccc1F)C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000607285382 1074308317 /nfs/dbraw/zinc/30/83/17/1074308317.db2.gz XXTKAXJCZIFNTN-UHFFFAOYSA-N -1 1 401.391 0.984 20 0 HCADMM CS(=O)(=O)CC[C@H](Cc1cccc(Br)c1)C(=O)NCc1nn[n-]n1 ZINC000607341468 1074316393 /nfs/dbraw/zinc/31/63/93/1074316393.db2.gz YRIPTZMLKBRJNE-LLVKDONJSA-N -1 1 416.301 0.872 20 0 HCADMM CS(=O)(=O)CC[C@@H](Cc1cccc(Br)c1)C(=O)NCc1nn[n-]n1 ZINC000607341469 1074316767 /nfs/dbraw/zinc/31/67/67/1074316767.db2.gz YRIPTZMLKBRJNE-NSHDSACASA-N -1 1 416.301 0.872 20 0 HCADMM Cn1cc(S(=O)(=O)N2CCC([N-]S(=O)(=O)c3cccc(F)c3F)CC2)cn1 ZINC000607365169 1074321296 /nfs/dbraw/zinc/32/12/96/1074321296.db2.gz WARLZAZYOHEJGU-UHFFFAOYSA-N -1 1 420.463 0.830 20 0 HCADMM Cn1cc(S(=O)(=O)N2CCC(NC(=O)c3nc4ccccc4c(=O)[n-]3)CC2)cn1 ZINC000607367375 1074321880 /nfs/dbraw/zinc/32/18/80/1074321880.db2.gz MYDGLHKLIZQWKF-UHFFFAOYSA-N -1 1 416.463 0.240 20 0 HCADMM CC(C)(C)c1nc(=NC(=O)C(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)s[n-]1 ZINC000607427998 1074326227 /nfs/dbraw/zinc/32/62/27/1074326227.db2.gz DEPXHTWAXQFQHN-HXUWFJFHSA-N -1 1 417.535 0.949 20 0 HCADMM O=C([O-])COc1ccc(S(=O)(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)cc1 ZINC000607615283 1074338673 /nfs/dbraw/zinc/33/86/73/1074338673.db2.gz ZBPSBWZYQBXIQX-UHFFFAOYSA-N -1 1 424.435 0.006 20 0 HCADMM Cc1ccc(S(=O)(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)cc1C(=O)[O-] ZINC000607615286 1074338953 /nfs/dbraw/zinc/33/89/53/1074338953.db2.gz ZGRXDHSZHQMKLC-UHFFFAOYSA-N -1 1 408.436 0.549 20 0 HCADMM Cc1nnnn1-c1ccc(F)c([N-]S(=O)(=O)c2ccccc2S(N)(=O)=O)c1 ZINC000607615351 1074338721 /nfs/dbraw/zinc/33/87/21/1074338721.db2.gz PZZWBKCQIVIDHT-UHFFFAOYSA-N -1 1 412.428 0.558 20 0 HCADMM COCCNC(=O)Cn1cc(NS(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)cn1 ZINC000607617411 1074339923 /nfs/dbraw/zinc/33/99/23/1074339923.db2.gz VPTBUQWVACWUNF-UHFFFAOYSA-N -1 1 412.424 0.153 20 0 HCADMM CC(=O)NCC(=O)NCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000607622121 1074341276 /nfs/dbraw/zinc/34/12/76/1074341276.db2.gz OYGLUXLYPVJEOO-UHFFFAOYSA-N -1 1 404.448 0.678 20 0 HCADMM CN1C(=O)C(=O)N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)C1=O ZINC000607622474 1074341469 /nfs/dbraw/zinc/34/14/69/1074341469.db2.gz MXWZMTPCFFSHDD-UHFFFAOYSA-N -1 1 416.415 0.847 20 0 HCADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000607662595 1074343328 /nfs/dbraw/zinc/34/33/28/1074343328.db2.gz RBWOCVSXYBCHNJ-UHFFFAOYSA-N -1 1 421.479 0.756 20 0 HCADMM CSc1nc(C)c(CCC(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)c(=O)[n-]1 ZINC000607663053 1074344582 /nfs/dbraw/zinc/34/45/82/1074344582.db2.gz DJSDZQCWRSNYHG-UHFFFAOYSA-N -1 1 420.495 0.839 20 0 HCADMM CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cnn(CC(=O)NCCOC)c1 ZINC000607700809 1074358188 /nfs/dbraw/zinc/35/81/88/1074358188.db2.gz GBMXZKSFEPZPNT-UHFFFAOYSA-N -1 1 409.468 0.660 20 0 HCADMM COCCNC(=O)Cn1cc(NC(=O)c2cc(C)ccc2[N-]S(C)(=O)=O)cn1 ZINC000607701221 1074352055 /nfs/dbraw/zinc/35/20/55/1074352055.db2.gz JPQAIFIIMACYGN-UHFFFAOYSA-N -1 1 409.468 0.578 20 0 HCADMM COc1ccc([N-]S(=O)(=O)c2cccc(-c3nnnn3C)c2)cc1S(N)(=O)=O ZINC000607880582 1074369300 /nfs/dbraw/zinc/36/93/00/1074369300.db2.gz ZMTJGENTTRPKNY-UHFFFAOYSA-N -1 1 424.464 0.334 20 0 HCADMM CC(=O)N[C@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)NCc1nn[n-]n1 ZINC000607906046 1074376303 /nfs/dbraw/zinc/37/63/03/1074376303.db2.gz ZYDUSPGAKBZOIW-CYBMUJFWSA-N -1 1 406.244 0.807 20 0 HCADMM CC(=O)N[C@@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)NCc1nn[n-]n1 ZINC000607906047 1074376177 /nfs/dbraw/zinc/37/61/77/1074376177.db2.gz ZYDUSPGAKBZOIW-ZDUSSCGKSA-N -1 1 406.244 0.807 20 0 HCADMM CN1C(=O)CCc2cc(NC(=O)c3ccc(S(=O)(=O)[N-]CC(N)=O)o3)ccc21 ZINC000608013008 1074381528 /nfs/dbraw/zinc/38/15/28/1074381528.db2.gz WVPVLNLSXCTPRL-UHFFFAOYSA-N -1 1 406.420 0.205 20 0 HCADMM Cn1ccnc1C[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccccc1 ZINC000608046707 1074386446 /nfs/dbraw/zinc/38/64/46/1074386446.db2.gz IQSUWQXEDHJACG-AWEZNQCLSA-N -1 1 403.464 0.080 20 0 HCADMM Cn1ccnc1C[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccccc1 ZINC000608046712 1074386664 /nfs/dbraw/zinc/38/66/64/1074386664.db2.gz IQSUWQXEDHJACG-CQSZACIVSA-N -1 1 403.464 0.080 20 0 HCADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000608232981 1074405997 /nfs/dbraw/zinc/40/59/97/1074405997.db2.gz WJNIIAKRSDZJFV-PXAZEXFGSA-N -1 1 421.461 0.727 20 0 HCADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000608232982 1074405966 /nfs/dbraw/zinc/40/59/66/1074405966.db2.gz WJNIIAKRSDZJFV-SJCJKPOMSA-N -1 1 421.461 0.727 20 0 HCADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O ZINC000608232983 1074406008 /nfs/dbraw/zinc/40/60/08/1074406008.db2.gz WJNIIAKRSDZJFV-SJKOYZFVSA-N -1 1 421.461 0.727 20 0 HCADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O ZINC000608232984 1074406063 /nfs/dbraw/zinc/40/60/63/1074406063.db2.gz WJNIIAKRSDZJFV-YVEFUNNKSA-N -1 1 421.461 0.727 20 0 HCADMM COc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1S(N)(=O)=O ZINC000608341151 1074428233 /nfs/dbraw/zinc/42/82/33/1074428233.db2.gz MOCAXNRLQPDCKE-UHFFFAOYSA-N -1 1 404.397 0.981 20 0 HCADMM CC(C)(NS(C)(=O)=O)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000608348965 1074424495 /nfs/dbraw/zinc/42/44/95/1074424495.db2.gz DYTXRQZFXNBTAO-UHFFFAOYSA-N -1 1 405.498 0.443 20 0 HCADMM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000608356554 1074425568 /nfs/dbraw/zinc/42/55/68/1074425568.db2.gz PPUOSUGTVBSTAM-BXUZGUMPSA-N -1 1 418.483 0.123 20 0 HCADMM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000608356565 1074425516 /nfs/dbraw/zinc/42/55/16/1074425516.db2.gz PPUOSUGTVBSTAM-FZMZJTMJSA-N -1 1 418.483 0.123 20 0 HCADMM Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000608356567 1074425633 /nfs/dbraw/zinc/42/56/33/1074425633.db2.gz PPUOSUGTVBSTAM-RISCZKNCSA-N -1 1 418.483 0.123 20 0 HCADMM Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000608356568 1074425471 /nfs/dbraw/zinc/42/54/71/1074425471.db2.gz PPUOSUGTVBSTAM-SMDDNHRTSA-N -1 1 418.483 0.123 20 0 HCADMM O=C(NCc1nn[n-]n1)C(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 ZINC000608520783 1074461797 /nfs/dbraw/zinc/46/17/97/1074461797.db2.gz WPKLXVSJOHMMKU-UHFFFAOYSA-N -1 1 419.243 0.656 20 0 HCADMM CN(Cc1nc2ccccc2n1C)C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000608764757 1074501467 /nfs/dbraw/zinc/50/14/67/1074501467.db2.gz FZSNKNHCWPZKMU-UHFFFAOYSA-N -1 1 405.436 0.202 20 0 HCADMM COC(=O)CNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cccc(OC)c2)c1 ZINC000608954792 1074529544 /nfs/dbraw/zinc/52/95/44/1074529544.db2.gz IKFXZDDKIYITLY-UHFFFAOYSA-N -1 1 414.461 0.947 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)NCCC(=O)OC)cc2)o1 ZINC000609035938 1074533379 /nfs/dbraw/zinc/53/33/79/1074533379.db2.gz JKGVUVCFVHFJJU-UHFFFAOYSA-N -1 1 409.420 0.733 20 0 HCADMM CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nn[n-]n3)CC2)cc1 ZINC000609112408 1075670793 /nfs/dbraw/zinc/67/07/93/1075670793.db2.gz CUHFMJQLRZDVFF-UHFFFAOYSA-N -1 1 408.440 0.416 20 0 HCADMM CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnn[n-]3)CC2)cc1 ZINC000609112408 1075670788 /nfs/dbraw/zinc/67/07/88/1075670788.db2.gz CUHFMJQLRZDVFF-UHFFFAOYSA-N -1 1 408.440 0.416 20 0 HCADMM COC(=O)c1sc2ccccc2c1C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000609122068 1075828234 /nfs/dbraw/zinc/82/82/34/1075828234.db2.gz UCXFPFQJKVPHFA-UHFFFAOYSA-N -1 1 423.472 0.564 20 0 HCADMM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCNC(=O)C3)nc2)cc1 ZINC000609323502 1079227371 /nfs/dbraw/zinc/22/73/71/1079227371.db2.gz RWMLEBKATPKBCU-UHFFFAOYSA-N -1 1 420.447 0.370 20 0 HCADMM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N3CCNC(=O)C3)nc2)c1 ZINC000609323565 1079226730 /nfs/dbraw/zinc/22/67/30/1079226730.db2.gz UBVFNIMCGZUKKT-UHFFFAOYSA-N -1 1 404.448 0.995 20 0 HCADMM COc1cc(F)c(S(=O)(=O)[N-]CCS(=O)(=O)N2CCSCC2)c(F)c1 ZINC000609334460 1079246060 /nfs/dbraw/zinc/24/60/60/1079246060.db2.gz YZAZBZFWTGAGOO-UHFFFAOYSA-N -1 1 416.493 0.630 20 0 HCADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(C(=O)N3CCN(C)CC3)cc2)o1 ZINC000609351561 1079248406 /nfs/dbraw/zinc/24/84/06/1079248406.db2.gz JEORSGBKQYHOBU-UHFFFAOYSA-N -1 1 421.475 0.932 20 0 HCADMM COC(=O)c1ccc(S(=O)(=O)[N-]CCS(=O)(=O)NCc2ccccc2)o1 ZINC000609351758 1079248353 /nfs/dbraw/zinc/24/83/53/1079248353.db2.gz DAOSVKPEOQTNJO-UHFFFAOYSA-N -1 1 402.450 0.464 20 0 HCADMM COC(=O)c1ccc(S(=O)(=O)[N-]CCCN2C(=O)NC3(CCCCC3)C2=O)o1 ZINC000609351802 1079248283 /nfs/dbraw/zinc/24/82/83/1079248283.db2.gz ZJDBHLOIHXFNBN-UHFFFAOYSA-N -1 1 413.452 0.989 20 0 HCADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(C(=O)N3CCNC(=O)C3)cc2)o1 ZINC000609352077 1079247725 /nfs/dbraw/zinc/24/77/25/1079247725.db2.gz RKFZYQJPZVDBRF-UHFFFAOYSA-N -1 1 421.431 0.117 20 0 HCADMM COC(=O)c1ccc(S(=O)(=O)[N-]CCOc2ccc(S(C)(=O)=O)cc2)o1 ZINC000609353083 1079248670 /nfs/dbraw/zinc/24/86/70/1079248670.db2.gz JZAZEOURMUPPBH-UHFFFAOYSA-N -1 1 403.434 0.827 20 0 HCADMM COC(=O)CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000609393561 1079254640 /nfs/dbraw/zinc/25/46/40/1079254640.db2.gz PIISUUVCNKFRLJ-UHFFFAOYSA-N -1 1 404.388 0.832 20 0 HCADMM CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NCc3nn[n-]n3)CC2)cc1 ZINC000609489248 1079275347 /nfs/dbraw/zinc/27/53/47/1079275347.db2.gz YQMUNIPMZSJZID-UHFFFAOYSA-N -1 1 422.467 0.094 20 0 HCADMM COC(=O)C[C@H](NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)C(=O)OC ZINC000609514704 1079278578 /nfs/dbraw/zinc/27/85/78/1079278578.db2.gz HESUAYFEIHCPBH-AWEZNQCLSA-N -1 1 402.407 0.706 20 0 HCADMM COC(=O)C[C@@H](NC(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O)C(=O)OC ZINC000609514707 1079278662 /nfs/dbraw/zinc/27/86/62/1079278662.db2.gz HESUAYFEIHCPBH-CQSZACIVSA-N -1 1 402.407 0.706 20 0 HCADMM CCOc1ccc(S(=O)(=O)N[C@H](CCSC)C(=O)NCc2nn[n-]n2)cc1 ZINC000609532877 1079284633 /nfs/dbraw/zinc/28/46/33/1079284633.db2.gz RWWXVTBASKVRND-CYBMUJFWSA-N -1 1 414.513 0.315 20 0 HCADMM CCOc1ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)NCc2nn[n-]n2)cc1 ZINC000609532883 1079284716 /nfs/dbraw/zinc/28/47/16/1079284716.db2.gz RWWXVTBASKVRND-ZDUSSCGKSA-N -1 1 414.513 0.315 20 0 HCADMM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(N(C)S(C)(=O)=O)cc2)o1 ZINC000609543528 1078474082 /nfs/dbraw/zinc/47/40/82/1078474082.db2.gz RUQXPIZVQHOGTC-UHFFFAOYSA-N -1 1 402.450 0.941 20 0 HCADMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(S(N)(=O)=O)c2)cc1 ZINC000609587786 1078486482 /nfs/dbraw/zinc/48/64/82/1078486482.db2.gz HEGOKUINCCEPQC-UHFFFAOYSA-N -1 1 414.461 0.859 20 0 HCADMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)NCCO)cc2)cc1 ZINC000609587878 1078486729 /nfs/dbraw/zinc/48/67/29/1078486729.db2.gz ACRVZYNNRUWHDI-UHFFFAOYSA-N -1 1 406.460 0.854 20 0 HCADMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCC(N)=O)cc2)cc1 ZINC000609588146 1078486912 /nfs/dbraw/zinc/48/69/12/1078486912.db2.gz JKPJXKFHFSSVJV-UHFFFAOYSA-N -1 1 405.432 0.418 20 0 HCADMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(S(N)(=O)=O)c2)cc1 ZINC000609588403 1078486514 /nfs/dbraw/zinc/48/65/14/1078486514.db2.gz SXVQAKURNBQTOA-UHFFFAOYSA-N -1 1 402.425 0.989 20 0 HCADMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCC(N)=O)c2)cc1 ZINC000609588442 1078486561 /nfs/dbraw/zinc/48/65/61/1078486561.db2.gz WNPKHPGVIDMJPU-UHFFFAOYSA-N -1 1 419.459 0.808 20 0 HCADMM CCOC(=O)[C@@H](C(=O)CSc1n[n-]c2nc(=O)c(C)nn21)c1nc(C)cs1 ZINC000609637862 1078498171 /nfs/dbraw/zinc/49/81/71/1078498171.db2.gz QZRXBELRGXHGSS-JTQLQIEISA-N -1 1 408.465 0.894 20 0 HCADMM CCOC(=O)[C@H](C(=O)CSc1n[n-]c2nc(=O)c(C)nn21)c1nc(C)cs1 ZINC000609637863 1078498015 /nfs/dbraw/zinc/49/80/15/1078498015.db2.gz QZRXBELRGXHGSS-SNVBAGLBSA-N -1 1 408.465 0.894 20 0 HCADMM CS(=O)(=O)Cc1ccc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2)cc1 ZINC000609699940 1078520193 /nfs/dbraw/zinc/52/01/93/1078520193.db2.gz LFSDMIQQLOXYBP-UHFFFAOYSA-N -1 1 404.491 0.679 20 0 HCADMM CS(=O)(=O)Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(S(N)(=O)=O)c2)cc1 ZINC000609700366 1078520320 /nfs/dbraw/zinc/52/03/20/1078520320.db2.gz AENAFJXJMWKOHU-UHFFFAOYSA-N -1 1 422.481 0.819 20 0 HCADMM Cc1c([N-]S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)cccc1S(N)(=O)=O ZINC000609700379 1078519981 /nfs/dbraw/zinc/51/99/81/1078519981.db2.gz BQHZWTMWYRZDBT-UHFFFAOYSA-N -1 1 418.518 0.988 20 0 HCADMM CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)cc1 ZINC000609700499 1078520253 /nfs/dbraw/zinc/52/02/53/1078520253.db2.gz OMFYWDLOVPAOGN-UHFFFAOYSA-N -1 1 418.518 0.940 20 0 HCADMM Cc1nnc2n1C[C@@H](CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)CC2 ZINC000609740269 1078534907 /nfs/dbraw/zinc/53/49/07/1078534907.db2.gz YPFYIWDYPWIYKS-LLVKDONJSA-N -1 1 417.488 0.638 20 0 HCADMM Cc1nnc2n1C[C@H](CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)CC2 ZINC000609740274 1078534961 /nfs/dbraw/zinc/53/49/61/1078534961.db2.gz YPFYIWDYPWIYKS-NSHDSACASA-N -1 1 417.488 0.638 20 0 HCADMM CS(=O)(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1 ZINC000609793675 1078542862 /nfs/dbraw/zinc/54/28/62/1078542862.db2.gz PBZYFACIMVBLAF-UHFFFAOYSA-N -1 1 419.506 0.184 20 0 HCADMM CS(=O)(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000609793685 1078542899 /nfs/dbraw/zinc/54/28/99/1078542899.db2.gz SFWHLGPNOFAWPM-UHFFFAOYSA-N -1 1 418.518 0.940 20 0 HCADMM CS(=O)(=O)NCc1ccc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1 ZINC000609793797 1078543458 /nfs/dbraw/zinc/54/34/58/1078543458.db2.gz UODQFUAGIHYFDF-UHFFFAOYSA-N -1 1 419.506 0.184 20 0 HCADMM COC(=O)Cc1nc([N-]C(=O)c2nccnc2C(=O)NCc2ccc(F)cc2)n[nH]1 ZINC000609835969 1078544351 /nfs/dbraw/zinc/54/43/51/1078544351.db2.gz ZVTPEMALKNBBFQ-UHFFFAOYSA-N -1 1 413.369 0.632 20 0 HCADMM C[C@@H]1[C@@H](C)S(=O)(=O)CCN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000609901494 1078563306 /nfs/dbraw/zinc/56/33/06/1078563306.db2.gz BKKTXYTWFXZNHB-NXEZZACHSA-N -1 1 414.502 0.393 20 0 HCADMM C[C@H]1[C@H](C)S(=O)(=O)CCN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000609901498 1078563260 /nfs/dbraw/zinc/56/32/60/1078563260.db2.gz BKKTXYTWFXZNHB-UWVGGRQHSA-N -1 1 414.502 0.393 20 0 HCADMM C[C@@H]1[C@H](C)N(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CCS1(=O)=O ZINC000609901499 1078563289 /nfs/dbraw/zinc/56/32/89/1078563289.db2.gz BKKTXYTWFXZNHB-VHSXEESVSA-N -1 1 414.502 0.393 20 0 HCADMM COC(=O)c1ccc(NC(=O)C(=O)NCc2nn[n-]n2)c(OCC(F)(F)F)c1 ZINC000609952951 1078570172 /nfs/dbraw/zinc/57/01/72/1078570172.db2.gz JBLKJOYXOXKJKG-UHFFFAOYSA-N -1 1 402.289 0.182 20 0 HCADMM COc1ccc(I)c(NC(=O)C(=O)NCc2nn[n-]n2)c1 ZINC000609953552 1078570276 /nfs/dbraw/zinc/57/02/76/1078570276.db2.gz JSZYMSPXMGLOLA-UHFFFAOYSA-N -1 1 402.152 0.068 20 0 HCADMM O=C(NCc1nn[n-]n1)C(=O)Nc1ccc(I)cc1Cl ZINC000609953647 1078570195 /nfs/dbraw/zinc/57/01/95/1078570195.db2.gz PPTRZMUNSKHFSN-UHFFFAOYSA-N -1 1 406.571 0.713 20 0 HCADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCCS(=O)(=O)CC2)c(F)c1 ZINC000610005450 1078590461 /nfs/dbraw/zinc/59/04/61/1078590461.db2.gz RQTFKUPZYKJHJA-UHFFFAOYSA-N -1 1 400.475 0.006 20 0 HCADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)ccc1OC ZINC000610056272 1078608158 /nfs/dbraw/zinc/60/81/58/1078608158.db2.gz LTTKZMVHGLERSP-UHFFFAOYSA-N -1 1 400.434 0.930 20 0 HCADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(NS(N)(=O)=O)c2)ccc1OC ZINC000610056637 1078608250 /nfs/dbraw/zinc/60/82/50/1078608250.db2.gz CMTVEOWEPDRTBU-UHFFFAOYSA-N -1 1 415.449 0.898 20 0 HCADMM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C(=O)NCC(N)=O)c2)ccc1OC ZINC000610057015 1078608198 /nfs/dbraw/zinc/60/81/98/1078608198.db2.gz YOQYZPJVDWNVAR-UHFFFAOYSA-N -1 1 421.431 0.498 20 0 HCADMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(CC(=O)NCCO)cc2)ccc1OC ZINC000610058570 1078608695 /nfs/dbraw/zinc/60/86/95/1078608695.db2.gz QLDIZLUSJGCDNT-UHFFFAOYSA-N -1 1 422.459 0.934 20 0 HCADMM COC(=O)CNS(=O)(=O)c1cccc([N-]S(=O)(=O)C[C@H]2CCCCO2)c1 ZINC000610123732 1078634007 /nfs/dbraw/zinc/63/40/07/1078634007.db2.gz QNNOLQFJQZKTCL-CYBMUJFWSA-N -1 1 406.482 0.449 20 0 HCADMM COC(=O)CNS(=O)(=O)c1cccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)c1 ZINC000610123733 1078634022 /nfs/dbraw/zinc/63/40/22/1078634022.db2.gz QNNOLQFJQZKTCL-ZDUSSCGKSA-N -1 1 406.482 0.449 20 0 HCADMM COC(=O)C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)c1cccs1 ZINC000610151359 1078640427 /nfs/dbraw/zinc/64/04/27/1078640427.db2.gz PQODOFPYHUYIOO-SECBINFHSA-N -1 1 415.449 0.139 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NCCSCc2ccccc2F)o1 ZINC000610151372 1078640411 /nfs/dbraw/zinc/64/04/11/1078640411.db2.gz SOOSPKHPNKRRSM-UHFFFAOYSA-N -1 1 415.468 0.846 20 0 HCADMM CCCCNC(=O)c1ccc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 ZINC000615223583 1074165584 /nfs/dbraw/zinc/16/55/84/1074165584.db2.gz SHFFXHQUIRCUOG-UHFFFAOYSA-N -1 1 408.480 0.092 20 0 HCADMM COc1cc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)ccc1OC1CCCC1 ZINC000615238605 1078641566 /nfs/dbraw/zinc/64/15/66/1078641566.db2.gz XSLMXNAULFKRMS-UHFFFAOYSA-N -1 1 423.491 0.893 20 0 HCADMM CC1CCN(c2ccc(C[N-]S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)cn2)CC1 ZINC000615247435 1078643509 /nfs/dbraw/zinc/64/35/09/1078643509.db2.gz ZAMKLRUZUCHETD-UHFFFAOYSA-N -1 1 407.496 0.194 20 0 HCADMM Cn1cc(S(=O)(=O)[N-]Cc2ccc(Oc3ccc(F)cc3)nc2)c(=O)n(C)c1=O ZINC000615264920 1078647341 /nfs/dbraw/zinc/64/73/41/1078647341.db2.gz JOJIYDRISJENQU-UHFFFAOYSA-N -1 1 420.422 0.889 20 0 HCADMM Cn1cc(S(=O)(=O)[N-]Cc2cccc(NC(=O)C3CCCC3)c2)c(=O)n(C)c1=O ZINC000615294630 1078652097 /nfs/dbraw/zinc/65/20/97/1078652097.db2.gz USIBANJQNYTKAA-UHFFFAOYSA-N -1 1 420.491 0.691 20 0 HCADMM COCCNS(=O)(=O)c1ccc(CNC(=O)c2nc3ccccc3c(=O)[n-]2)cc1 ZINC000615359176 1078660001 /nfs/dbraw/zinc/66/00/01/1078660001.db2.gz BKYIEZKHDGENTD-UHFFFAOYSA-N -1 1 416.459 0.778 20 0 HCADMM O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)c1nc2ccccc2c(=O)[n-]1 ZINC000615359314 1078660110 /nfs/dbraw/zinc/66/01/10/1078660110.db2.gz GWFKMCGYNJUKGQ-UHFFFAOYSA-N -1 1 405.414 0.425 20 0 HCADMM COc1ccc(NC(=O)CN(C)c2ncnc3nc[nH]c32)cc1[N-]S(C)(=O)=O ZINC000615497644 1078671905 /nfs/dbraw/zinc/67/19/05/1078671905.db2.gz NDTJWBQVHMKQKP-UHFFFAOYSA-N -1 1 405.440 0.808 20 0 HCADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)NCCS(=O)(=O)NC(C)(C)C ZINC000615703371 1078683983 /nfs/dbraw/zinc/68/39/83/1078683983.db2.gz YHIABQRUZGFVRK-UHFFFAOYSA-N -1 1 407.496 0.517 20 0 HCADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000615845268 1078698300 /nfs/dbraw/zinc/69/83/00/1078698300.db2.gz CQKVXFNEJOQSMW-AWEZNQCLSA-N -1 1 405.480 0.223 20 0 HCADMM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000615845269 1079889506 /nfs/dbraw/zinc/88/95/06/1079889506.db2.gz CQKVXFNEJOQSMW-CQSZACIVSA-N -1 1 405.480 0.223 20 0 HCADMM CCOC(=O)c1n[n-]c(CNC(=O)c2ccc(S(=O)(=O)N[C@H](C)CC)cc2)n1 ZINC000615916580 1078703537 /nfs/dbraw/zinc/70/35/37/1078703537.db2.gz DWFSGVMIFLXAIP-LLVKDONJSA-N -1 1 409.468 0.988 20 0 HCADMM CCOC(=O)c1nc(CNC(=O)c2ccc(S(=O)(=O)N[C@H](C)CC)cc2)n[n-]1 ZINC000615916580 1078703533 /nfs/dbraw/zinc/70/35/33/1078703533.db2.gz DWFSGVMIFLXAIP-LLVKDONJSA-N -1 1 409.468 0.988 20 0 HCADMM CCOC(=O)c1n[n-]c(CNC(=O)c2ccc(S(=O)(=O)N[C@@H](C)CC)cc2)n1 ZINC000615916581 1078703417 /nfs/dbraw/zinc/70/34/17/1078703417.db2.gz DWFSGVMIFLXAIP-NSHDSACASA-N -1 1 409.468 0.988 20 0 HCADMM CCOC(=O)c1nc(CNC(=O)c2ccc(S(=O)(=O)N[C@@H](C)CC)cc2)n[n-]1 ZINC000615916581 1078703411 /nfs/dbraw/zinc/70/34/11/1078703411.db2.gz DWFSGVMIFLXAIP-NSHDSACASA-N -1 1 409.468 0.988 20 0 HCADMM CCOC(=O)c1n[n-]c(CNC(=O)CNC(=O)c2cccc(Br)c2)n1 ZINC000615916999 1078703474 /nfs/dbraw/zinc/70/34/74/1078703474.db2.gz IZLUEYZAIOFLNB-UHFFFAOYSA-N -1 1 410.228 0.790 20 0 HCADMM CCOC(=O)c1nc(CNC(=O)CNC(=O)c2cccc(Br)c2)n[n-]1 ZINC000615916999 1078703468 /nfs/dbraw/zinc/70/34/68/1078703468.db2.gz IZLUEYZAIOFLNB-UHFFFAOYSA-N -1 1 410.228 0.790 20 0 HCADMM CCOC(=O)c1n[n-]c(CNC(=O)[C@@H](CC(C)C)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)n1 ZINC000615917467 1078703631 /nfs/dbraw/zinc/70/36/31/1078703631.db2.gz NBCOWQIHGQRRMF-HZSPNIEDSA-N -1 1 417.466 0.964 20 0 HCADMM CCOC(=O)c1nc(CNC(=O)[C@@H](CC(C)C)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)n[n-]1 ZINC000615917467 1078703625 /nfs/dbraw/zinc/70/36/25/1078703625.db2.gz NBCOWQIHGQRRMF-HZSPNIEDSA-N -1 1 417.466 0.964 20 0 HCADMM CCOC(=O)c1n[n-]c(CNC(=O)[C@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)n1 ZINC000615917469 1078703605 /nfs/dbraw/zinc/70/36/05/1078703605.db2.gz NBCOWQIHGQRRMF-IHRRRGAJSA-N -1 1 417.466 0.964 20 0 HCADMM CCOC(=O)c1nc(CNC(=O)[C@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)n[n-]1 ZINC000615917469 1078703601 /nfs/dbraw/zinc/70/36/01/1078703601.db2.gz NBCOWQIHGQRRMF-IHRRRGAJSA-N -1 1 417.466 0.964 20 0 HCADMM CCOC(=O)c1n[n-]c(CNC(=O)[C@H](CC(C)C)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)n1 ZINC000615917470 1078703570 /nfs/dbraw/zinc/70/35/70/1078703570.db2.gz NBCOWQIHGQRRMF-MCIONIFRSA-N -1 1 417.466 0.964 20 0 HCADMM CCOC(=O)c1nc(CNC(=O)[C@H](CC(C)C)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)n[n-]1 ZINC000615917470 1078703566 /nfs/dbraw/zinc/70/35/66/1078703566.db2.gz NBCOWQIHGQRRMF-MCIONIFRSA-N -1 1 417.466 0.964 20 0 HCADMM CCOC(=O)c1n[n-]c(CNC(=O)[C@H](CC(C)C)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)n1 ZINC000615917471 1078703445 /nfs/dbraw/zinc/70/34/45/1078703445.db2.gz NBCOWQIHGQRRMF-MJBXVCDLSA-N -1 1 417.466 0.964 20 0 HCADMM CCOC(=O)c1nc(CNC(=O)[C@H](CC(C)C)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)n[n-]1 ZINC000615917471 1078703441 /nfs/dbraw/zinc/70/34/41/1078703441.db2.gz NBCOWQIHGQRRMF-MJBXVCDLSA-N -1 1 417.466 0.964 20 0 HCADMM CCOC(=O)c1n[n-]c(CNC(=O)[C@@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)n1 ZINC000615918037 1078704108 /nfs/dbraw/zinc/70/41/08/1078704108.db2.gz QMRGKTWBPZMJJO-CYBMUJFWSA-N -1 1 401.423 0.655 20 0 HCADMM CCOC(=O)c1nc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)n[n-]1 ZINC000615918037 1078704103 /nfs/dbraw/zinc/70/41/03/1078704103.db2.gz QMRGKTWBPZMJJO-CYBMUJFWSA-N -1 1 401.423 0.655 20 0 HCADMM CCOC(=O)c1n[n-]c(CNC(=O)[C@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)n1 ZINC000615918038 1078704231 /nfs/dbraw/zinc/70/42/31/1078704231.db2.gz QMRGKTWBPZMJJO-ZDUSSCGKSA-N -1 1 401.423 0.655 20 0 HCADMM CCOC(=O)c1nc(CNC(=O)[C@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)n[n-]1 ZINC000615918038 1078704222 /nfs/dbraw/zinc/70/42/22/1078704222.db2.gz QMRGKTWBPZMJJO-ZDUSSCGKSA-N -1 1 401.423 0.655 20 0 HCADMM CCOC(=O)c1n[n-]c(CNC(=O)c2sccc2S(=O)(=O)N2CCCC2)n1 ZINC000615918702 1078704371 /nfs/dbraw/zinc/70/43/71/1078704371.db2.gz XGWUJMDZFPZYNC-UHFFFAOYSA-N -1 1 413.481 0.757 20 0 HCADMM CCOC(=O)c1nc(CNC(=O)c2sccc2S(=O)(=O)N2CCCC2)n[n-]1 ZINC000615918702 1078704367 /nfs/dbraw/zinc/70/43/67/1078704367.db2.gz XGWUJMDZFPZYNC-UHFFFAOYSA-N -1 1 413.481 0.757 20 0 HCADMM CCOC(=O)c1n[n-]c(CNC(=O)c2cc(Cl)c(OCC(N)=O)c(OC)c2)n1 ZINC000615918757 1078704176 /nfs/dbraw/zinc/70/41/76/1078704176.db2.gz ZMFANWFKKNZBEM-UHFFFAOYSA-N -1 1 411.802 0.438 20 0 HCADMM CCOC(=O)c1nc(CNC(=O)c2cc(Cl)c(OCC(N)=O)c(OC)c2)n[n-]1 ZINC000615918757 1078704172 /nfs/dbraw/zinc/70/41/72/1078704172.db2.gz ZMFANWFKKNZBEM-UHFFFAOYSA-N -1 1 411.802 0.438 20 0 HCADMM CCOC(=O)c1n[n-]c(CNC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)n1 ZINC000615919089 1078704744 /nfs/dbraw/zinc/70/47/44/1078704744.db2.gz XJIAPQBCPFRYHX-UHFFFAOYSA-N -1 1 400.370 0.905 20 0 HCADMM CCOC(=O)c1nc(CNC(=O)c2nn(-c3ccccc3F)c(C)cc2=O)n[n-]1 ZINC000615919089 1078704739 /nfs/dbraw/zinc/70/47/39/1078704739.db2.gz XJIAPQBCPFRYHX-UHFFFAOYSA-N -1 1 400.370 0.905 20 0 HCADMM CCOC(=O)c1n[n-]c(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000615919159 1078704883 /nfs/dbraw/zinc/70/48/83/1078704883.db2.gz BYJMWDDAERLYRB-VIFPVBQESA-N -1 1 415.859 0.618 20 0 HCADMM CCOC(=O)c1nc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)n[n-]1 ZINC000615919159 1078704877 /nfs/dbraw/zinc/70/48/77/1078704877.db2.gz BYJMWDDAERLYRB-VIFPVBQESA-N -1 1 415.859 0.618 20 0 HCADMM CCOC(=O)c1n[n-]c(CNC(=O)CN2C(=O)NC3(CCC(CC)CC3)C2=O)n1 ZINC000615919199 1078704797 /nfs/dbraw/zinc/70/47/97/1078704797.db2.gz DPCBOZVTEQLKPB-UHFFFAOYSA-N -1 1 406.443 0.488 20 0 HCADMM CCOC(=O)c1nc(CNC(=O)CN2C(=O)NC3(CCC(CC)CC3)C2=O)n[n-]1 ZINC000615919199 1078704793 /nfs/dbraw/zinc/70/47/93/1078704793.db2.gz DPCBOZVTEQLKPB-UHFFFAOYSA-N -1 1 406.443 0.488 20 0 HCADMM CCOC(=O)c1n[n-]c(CNC(=O)C2CCN(C(=O)COc3ccccc3)CC2)n1 ZINC000615919397 1078704779 /nfs/dbraw/zinc/70/47/79/1078704779.db2.gz FGGDBDXOTYZEBT-UHFFFAOYSA-N -1 1 415.450 0.915 20 0 HCADMM CCOC(=O)c1nc(CNC(=O)C2CCN(C(=O)COc3ccccc3)CC2)n[n-]1 ZINC000615919397 1078704775 /nfs/dbraw/zinc/70/47/75/1078704775.db2.gz FGGDBDXOTYZEBT-UHFFFAOYSA-N -1 1 415.450 0.915 20 0 HCADMM CCOC(=O)c1n[n-]c(CNC(=O)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)n1 ZINC000615919433 1078704709 /nfs/dbraw/zinc/70/47/09/1078704709.db2.gz ICVCEFGVZGWVGE-UHFFFAOYSA-N -1 1 409.468 0.940 20 0 HCADMM CCOC(=O)c1nc(CNC(=O)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)n[n-]1 ZINC000615919433 1078704706 /nfs/dbraw/zinc/70/47/06/1078704706.db2.gz ICVCEFGVZGWVGE-UHFFFAOYSA-N -1 1 409.468 0.940 20 0 HCADMM CCOC(=O)c1n[n-]c(CNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)n1 ZINC000615919466 1078704832 /nfs/dbraw/zinc/70/48/32/1078704832.db2.gz IRVHMWRWQLLIBQ-UHFFFAOYSA-N -1 1 409.468 0.942 20 0 HCADMM CCOC(=O)c1nc(CNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)n[n-]1 ZINC000615919466 1078704826 /nfs/dbraw/zinc/70/48/26/1078704826.db2.gz IRVHMWRWQLLIBQ-UHFFFAOYSA-N -1 1 409.468 0.942 20 0 HCADMM CCOC(=O)c1n[n-]c(CNC(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)n1 ZINC000615919640 1078704326 /nfs/dbraw/zinc/70/43/26/1078704326.db2.gz HYKXXQMHBGSMBK-UHFFFAOYSA-N -1 1 423.451 0.361 20 0 HCADMM CCOC(=O)c1nc(CNC(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)n[n-]1 ZINC000615919640 1078704318 /nfs/dbraw/zinc/70/43/18/1078704318.db2.gz HYKXXQMHBGSMBK-UHFFFAOYSA-N -1 1 423.451 0.361 20 0 HCADMM CCOC(=O)c1n[n-]c(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)n1 ZINC000615919702 1078704293 /nfs/dbraw/zinc/70/42/93/1078704293.db2.gz JGRZEOHGKRAXGL-JTQLQIEISA-N -1 1 413.481 0.512 20 0 HCADMM CCOC(=O)c1nc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)n[n-]1 ZINC000615919702 1078704288 /nfs/dbraw/zinc/70/42/88/1078704288.db2.gz JGRZEOHGKRAXGL-JTQLQIEISA-N -1 1 413.481 0.512 20 0 HCADMM CCOC(=O)c1n[n-]c(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)n1 ZINC000615919705 1078704405 /nfs/dbraw/zinc/70/44/05/1078704405.db2.gz JGRZEOHGKRAXGL-SNVBAGLBSA-N -1 1 413.481 0.512 20 0 HCADMM CCOC(=O)c1nc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)n[n-]1 ZINC000615919705 1078704398 /nfs/dbraw/zinc/70/43/98/1078704398.db2.gz JGRZEOHGKRAXGL-SNVBAGLBSA-N -1 1 413.481 0.512 20 0 HCADMM CCOC(=O)c1n[n-]c(CNC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)n1 ZINC000615920017 1078704697 /nfs/dbraw/zinc/70/46/97/1078704697.db2.gz LYYMBJMBHMUKRI-UHFFFAOYSA-N -1 1 407.452 0.661 20 0 HCADMM CCOC(=O)c1nc(CNC(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)n[n-]1 ZINC000615920017 1078704694 /nfs/dbraw/zinc/70/46/94/1078704694.db2.gz LYYMBJMBHMUKRI-UHFFFAOYSA-N -1 1 407.452 0.661 20 0 HCADMM CCOC(=O)c1n[n-]c(CNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)n1 ZINC000615920076 1078705002 /nfs/dbraw/zinc/70/50/02/1078705002.db2.gz PVYUJPFHIMSIJZ-LLVKDONJSA-N -1 1 415.406 0.422 20 0 HCADMM CCOC(=O)c1nc(CNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)n[n-]1 ZINC000615920076 1078704994 /nfs/dbraw/zinc/70/49/94/1078704994.db2.gz PVYUJPFHIMSIJZ-LLVKDONJSA-N -1 1 415.406 0.422 20 0 HCADMM CCOC(=O)c1n[n-]c(CNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)n1 ZINC000615920079 1080006874 /nfs/dbraw/zinc/00/68/74/1080006874.db2.gz PVYUJPFHIMSIJZ-NSHDSACASA-N -1 1 415.406 0.422 20 0 HCADMM CCOC(=O)c1nc(CNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)n[n-]1 ZINC000615920079 1080006864 /nfs/dbraw/zinc/00/68/64/1080006864.db2.gz PVYUJPFHIMSIJZ-NSHDSACASA-N -1 1 415.406 0.422 20 0 HCADMM CCOC(=O)c1n[n-]c(CNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000615920154 1078704948 /nfs/dbraw/zinc/70/49/48/1078704948.db2.gz NFZXMFICLCOOAK-UHFFFAOYSA-N -1 1 415.859 0.572 20 0 HCADMM CCOC(=O)c1nc(CNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)n[n-]1 ZINC000615920154 1078704943 /nfs/dbraw/zinc/70/49/43/1078704943.db2.gz NFZXMFICLCOOAK-UHFFFAOYSA-N -1 1 415.859 0.572 20 0 HCADMM CCOC(=O)c1n[n-]c(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)n1 ZINC000615920158 1078704726 /nfs/dbraw/zinc/70/47/26/1078704726.db2.gz NIWUIUZPIYEDND-UHFFFAOYSA-N -1 1 411.440 0.597 20 0 HCADMM CCOC(=O)c1nc(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)n[n-]1 ZINC000615920158 1078704721 /nfs/dbraw/zinc/70/47/21/1078704721.db2.gz NIWUIUZPIYEDND-UHFFFAOYSA-N -1 1 411.440 0.597 20 0 HCADMM CCOC(=O)c1n[n-]c(CNC(=O)CNC(=O)c2ccc(Br)o2)n1 ZINC000615920388 1078705053 /nfs/dbraw/zinc/70/50/53/1078705053.db2.gz RLRYYICNTAIXAJ-UHFFFAOYSA-N -1 1 400.189 0.383 20 0 HCADMM CCOC(=O)c1nc(CNC(=O)CNC(=O)c2ccc(Br)o2)n[n-]1 ZINC000615920388 1078705050 /nfs/dbraw/zinc/70/50/50/1078705050.db2.gz RLRYYICNTAIXAJ-UHFFFAOYSA-N -1 1 400.189 0.383 20 0 HCADMM CCCCS(=O)(=O)N1CCC(C(=O)NCc2nc(C(=O)OCC)n[n-]2)CC1 ZINC000615920438 1078704858 /nfs/dbraw/zinc/70/48/58/1078704858.db2.gz UGCYPUWDAYXCIB-UHFFFAOYSA-N -1 1 401.489 0.440 20 0 HCADMM CCCCS(=O)(=O)N1CCC(C(=O)NCc2n[n-]c(C(=O)OCC)n2)CC1 ZINC000615920438 1078704852 /nfs/dbraw/zinc/70/48/52/1078704852.db2.gz UGCYPUWDAYXCIB-UHFFFAOYSA-N -1 1 401.489 0.440 20 0 HCADMM CCOC(=O)c1n[n-]c(CNC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)n1 ZINC000615920504 1078705027 /nfs/dbraw/zinc/70/50/27/1078705027.db2.gz ZBGRSFSUSCQUFL-UHFFFAOYSA-N -1 1 407.452 0.624 20 0 HCADMM CCOC(=O)c1nc(CNC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)n[n-]1 ZINC000615920504 1078705021 /nfs/dbraw/zinc/70/50/21/1078705021.db2.gz ZBGRSFSUSCQUFL-UHFFFAOYSA-N -1 1 407.452 0.624 20 0 HCADMM NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(OCCn3cncn3)c2)c1 ZINC000615956146 1078708245 /nfs/dbraw/zinc/70/82/45/1078708245.db2.gz JNXNKCMVCRIZMO-UHFFFAOYSA-N -1 1 423.476 0.805 20 0 HCADMM Cn1cc(S(=O)(=O)[N-][C@H](c2ccc3c(c2)OCCO3)C2CC2)c(=O)n(C)c1=O ZINC000616021229 1078710904 /nfs/dbraw/zinc/71/09/04/1078710904.db2.gz BYVWFRURPZCPJF-INIZCTEOSA-N -1 1 407.448 0.285 20 0 HCADMM Cn1cc(S(=O)(=O)[N-][C@@H](c2ccc3c(c2)OCCO3)C2CC2)c(=O)n(C)c1=O ZINC000616021232 1078710706 /nfs/dbraw/zinc/71/07/06/1078710706.db2.gz BYVWFRURPZCPJF-MRXNPFEDSA-N -1 1 407.448 0.285 20 0 HCADMM CCOC(=O)c1n[n-]c(CNC(=O)Cc2c(C)nc3nc(SC)nn3c2C)n1 ZINC000616028357 1078711533 /nfs/dbraw/zinc/71/15/33/1078711533.db2.gz BGYADNLPRSAMCM-UHFFFAOYSA-N -1 1 404.456 0.617 20 0 HCADMM CCOC(=O)c1nc(CNC(=O)Cc2c(C)nc3nc(SC)nn3c2C)n[n-]1 ZINC000616028357 1078711528 /nfs/dbraw/zinc/71/15/28/1078711528.db2.gz BGYADNLPRSAMCM-UHFFFAOYSA-N -1 1 404.456 0.617 20 0 HCADMM CCOC(=O)c1n[n-]c(CNC(=O)CCNS(=O)(=O)c2ccc(C(C)=O)cc2)n1 ZINC000616028386 1078711462 /nfs/dbraw/zinc/71/14/62/1078711462.db2.gz CPZRRXOCWOJHNK-UHFFFAOYSA-N -1 1 423.451 0.169 20 0 HCADMM CCOC(=O)c1nc(CNC(=O)CCNS(=O)(=O)c2ccc(C(C)=O)cc2)n[n-]1 ZINC000616028386 1078711456 /nfs/dbraw/zinc/71/14/56/1078711456.db2.gz CPZRRXOCWOJHNK-UHFFFAOYSA-N -1 1 423.451 0.169 20 0 HCADMM CCOC(=O)c1n[n-]c(CNC(=O)CCNS(=O)(=O)c2cccc(C(C)=O)c2)n1 ZINC000616028658 1078711513 /nfs/dbraw/zinc/71/15/13/1078711513.db2.gz LTSGWRYJRCLYNQ-UHFFFAOYSA-N -1 1 423.451 0.169 20 0 HCADMM CCOC(=O)c1nc(CNC(=O)CCNS(=O)(=O)c2cccc(C(C)=O)c2)n[n-]1 ZINC000616028658 1078711510 /nfs/dbraw/zinc/71/15/10/1078711510.db2.gz LTSGWRYJRCLYNQ-UHFFFAOYSA-N -1 1 423.451 0.169 20 0 HCADMM CCOC(=O)c1n[n-]c(CNC(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)n1 ZINC000616028715 1078711298 /nfs/dbraw/zinc/71/12/98/1078711298.db2.gz PXSGDXPYGPPPGU-UHFFFAOYSA-N -1 1 424.483 0.425 20 0 HCADMM CCOC(=O)c1nc(CNC(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)n[n-]1 ZINC000616028715 1078711294 /nfs/dbraw/zinc/71/12/94/1078711294.db2.gz PXSGDXPYGPPPGU-UHFFFAOYSA-N -1 1 424.483 0.425 20 0 HCADMM CCOC(=O)c1n[n-]c(CNC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)n1 ZINC000616028725 1078711481 /nfs/dbraw/zinc/71/14/81/1078711481.db2.gz QCFFTCLCYFFHPE-JEOXALJRSA-N -1 1 420.470 0.734 20 0 HCADMM CCOC(=O)c1nc(CNC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)n[n-]1 ZINC000616028725 1078711475 /nfs/dbraw/zinc/71/14/75/1078711475.db2.gz QCFFTCLCYFFHPE-JEOXALJRSA-N -1 1 420.470 0.734 20 0 HCADMM CCOC(=O)c1n[n-]c(CNC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)n1 ZINC000616028727 1078711333 /nfs/dbraw/zinc/71/13/33/1078711333.db2.gz QCFFTCLCYFFHPE-NSPYISDASA-N -1 1 420.470 0.734 20 0 HCADMM CCOC(=O)c1nc(CNC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)n[n-]1 ZINC000616028727 1078711330 /nfs/dbraw/zinc/71/13/30/1078711330.db2.gz QCFFTCLCYFFHPE-NSPYISDASA-N -1 1 420.470 0.734 20 0 HCADMM CCOC(=O)c1n[n-]c(CNC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)n1 ZINC000616028729 1078711358 /nfs/dbraw/zinc/71/13/58/1078711358.db2.gz QCFFTCLCYFFHPE-WLRWDXFRSA-N -1 1 420.470 0.734 20 0 HCADMM CCOC(=O)c1nc(CNC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)n[n-]1 ZINC000616028729 1078711354 /nfs/dbraw/zinc/71/13/54/1078711354.db2.gz QCFFTCLCYFFHPE-WLRWDXFRSA-N -1 1 420.470 0.734 20 0 HCADMM CCOC(=O)c1n[n-]c(CNC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)n1 ZINC000616028730 1078711379 /nfs/dbraw/zinc/71/13/79/1078711379.db2.gz QCFFTCLCYFFHPE-WYRIXSBYSA-N -1 1 420.470 0.734 20 0 HCADMM CCOC(=O)c1nc(CNC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)n[n-]1 ZINC000616028730 1078711375 /nfs/dbraw/zinc/71/13/75/1078711375.db2.gz QCFFTCLCYFFHPE-WYRIXSBYSA-N -1 1 420.470 0.734 20 0 HCADMM CCOC(=O)c1n[n-]c(CNC(=O)c2ccc(OC)c(S(=O)(=O)N(C)C)c2)n1 ZINC000616028777 1078711437 /nfs/dbraw/zinc/71/14/37/1078711437.db2.gz QOMPERCTXAEOLP-UHFFFAOYSA-N -1 1 411.440 0.170 20 0 HCADMM CCOC(=O)c1nc(CNC(=O)c2ccc(OC)c(S(=O)(=O)N(C)C)c2)n[n-]1 ZINC000616028777 1078711431 /nfs/dbraw/zinc/71/14/31/1078711431.db2.gz QOMPERCTXAEOLP-UHFFFAOYSA-N -1 1 411.440 0.170 20 0 HCADMM CCOC(=O)c1n[n-]c(CNC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3OC)C2)n1 ZINC000616028809 1080028594 /nfs/dbraw/zinc/02/85/94/1080028594.db2.gz QSTFMBHDJLSPJI-GFCCVEGCSA-N -1 1 401.423 0.968 20 0 HCADMM CCOC(=O)c1nc(CNC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3OC)C2)n[n-]1 ZINC000616028809 1080028582 /nfs/dbraw/zinc/02/85/82/1080028582.db2.gz QSTFMBHDJLSPJI-GFCCVEGCSA-N -1 1 401.423 0.968 20 0 HCADMM CCOC(=O)c1n[n-]c(CNC(=O)[C@H]2CC(=O)N(c3cc(C)ccc3OC)C2)n1 ZINC000616028810 1078711268 /nfs/dbraw/zinc/71/12/68/1078711268.db2.gz QSTFMBHDJLSPJI-LBPRGKRZSA-N -1 1 401.423 0.968 20 0 HCADMM CCOC(=O)c1nc(CNC(=O)[C@H]2CC(=O)N(c3cc(C)ccc3OC)C2)n[n-]1 ZINC000616028810 1078711262 /nfs/dbraw/zinc/71/12/62/1078711262.db2.gz QSTFMBHDJLSPJI-LBPRGKRZSA-N -1 1 401.423 0.968 20 0 HCADMM CCOC(=O)c1n[n-]c(CNC(=O)CCNS(=O)(=O)c2ccccc2Cl)n1 ZINC000616029010 1078711394 /nfs/dbraw/zinc/71/13/94/1078711394.db2.gz UBFYDZIKNFHONC-UHFFFAOYSA-N -1 1 415.859 0.620 20 0 HCADMM CCOC(=O)c1n[n-]c(CNC(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)n1 ZINC000616029039 1080028331 /nfs/dbraw/zinc/02/83/31/1080028331.db2.gz VDKYJEXQZALILC-UHFFFAOYSA-N -1 1 409.468 0.940 20 0 HCADMM CCOC(=O)c1nc(CNC(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)n[n-]1 ZINC000616029039 1080028321 /nfs/dbraw/zinc/02/83/21/1080028321.db2.gz VDKYJEXQZALILC-UHFFFAOYSA-N -1 1 409.468 0.940 20 0 HCADMM CCOC(=O)c1n[n-]c(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)n1 ZINC000616029059 1078712014 /nfs/dbraw/zinc/71/20/14/1078712014.db2.gz WLICVDKEXCNOMM-CYBMUJFWSA-N -1 1 421.479 0.699 20 0 HCADMM CCOC(=O)c1nc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)n[n-]1 ZINC000616029059 1078712010 /nfs/dbraw/zinc/71/20/10/1078712010.db2.gz WLICVDKEXCNOMM-CYBMUJFWSA-N -1 1 421.479 0.699 20 0 HCADMM CCOC(=O)c1n[n-]c(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)n1 ZINC000616029060 1078711922 /nfs/dbraw/zinc/71/19/22/1078711922.db2.gz WLICVDKEXCNOMM-ZDUSSCGKSA-N -1 1 421.479 0.699 20 0 HCADMM CCOC(=O)c1nc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)n[n-]1 ZINC000616029060 1078711916 /nfs/dbraw/zinc/71/19/16/1078711916.db2.gz WLICVDKEXCNOMM-ZDUSSCGKSA-N -1 1 421.479 0.699 20 0 HCADMM CCOC(=O)c1n[n-]c(CNC(=O)CNC(=O)c2ccc(Br)s2)n1 ZINC000616029062 1078711967 /nfs/dbraw/zinc/71/19/67/1078711967.db2.gz WPPZBVHFHHWXBZ-UHFFFAOYSA-N -1 1 416.257 0.852 20 0 HCADMM CCOC(=O)c1nc(CNC(=O)CNC(=O)c2ccc(Br)s2)n[n-]1 ZINC000616029062 1078711964 /nfs/dbraw/zinc/71/19/64/1078711964.db2.gz WPPZBVHFHHWXBZ-UHFFFAOYSA-N -1 1 416.257 0.852 20 0 HCADMM CCOC(=O)c1n[n-]c(CNC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)n1 ZINC000616029109 1078711946 /nfs/dbraw/zinc/71/19/46/1078711946.db2.gz YMOYWWCYGKKUJA-UHFFFAOYSA-N -1 1 409.468 0.942 20 0 HCADMM CCOC(=O)c1nc(CNC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)n[n-]1 ZINC000616029109 1078711942 /nfs/dbraw/zinc/71/19/42/1078711942.db2.gz YMOYWWCYGKKUJA-UHFFFAOYSA-N -1 1 409.468 0.942 20 0 HCADMM CCOC(=O)c1n[n-]c(CNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)n1 ZINC000616029840 1078711981 /nfs/dbraw/zinc/71/19/81/1078711981.db2.gz HOKVNUHCDVNZAH-AWEZNQCLSA-N -1 1 421.479 0.841 20 0 HCADMM CCOC(=O)c1nc(CNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)n[n-]1 ZINC000616029840 1078711980 /nfs/dbraw/zinc/71/19/80/1078711980.db2.gz HOKVNUHCDVNZAH-AWEZNQCLSA-N -1 1 421.479 0.841 20 0 HCADMM CCOC(=O)c1n[n-]c(CNC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)n1 ZINC000616029841 1078711819 /nfs/dbraw/zinc/71/18/19/1078711819.db2.gz HOKVNUHCDVNZAH-CQSZACIVSA-N -1 1 421.479 0.841 20 0 HCADMM CCOC(=O)c1nc(CNC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)n[n-]1 ZINC000616029841 1078711812 /nfs/dbraw/zinc/71/18/12/1078711812.db2.gz HOKVNUHCDVNZAH-CQSZACIVSA-N -1 1 421.479 0.841 20 0 HCADMM O=C(NC1=NCC(=O)N1)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000617159176 1078807148 /nfs/dbraw/zinc/80/71/48/1078807148.db2.gz NMVROXJWFLLYRS-UHFFFAOYSA-N -1 1 414.403 0.285 20 0 HCADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3=NCC(=O)N3)cc2)cc1 ZINC000617160427 1078807214 /nfs/dbraw/zinc/80/72/14/1078807214.db2.gz XRZZCZXTVWHFSQ-UHFFFAOYSA-N -1 1 400.416 0.906 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)o1 ZINC000617185472 1078808069 /nfs/dbraw/zinc/80/80/69/1078808069.db2.gz PJRUULUECOBIKT-LLVKDONJSA-N -1 1 415.493 0.929 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)o1 ZINC000617185473 1078808134 /nfs/dbraw/zinc/80/81/34/1078808134.db2.gz PJRUULUECOBIKT-NSHDSACASA-N -1 1 415.493 0.929 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCc2ccc(OCC(=O)NC3CC3)cc2)o1 ZINC000617188562 1078808169 /nfs/dbraw/zinc/80/81/69/1078808169.db2.gz VAALCGZGPHBWHT-UHFFFAOYSA-N -1 1 421.475 0.818 20 0 HCADMM COC(=O)c1cc(NC(=O)C(=O)NCc2nn[n-]n2)cc(Br)c1F ZINC000617921876 1078848285 /nfs/dbraw/zinc/84/82/85/1078848285.db2.gz NVMCKSWSPBKFTO-UHFFFAOYSA-N -1 1 401.152 0.143 20 0 HCADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCC[C@H](NS(C)(=O)=O)C1 ZINC000617976385 1078851264 /nfs/dbraw/zinc/85/12/64/1078851264.db2.gz YIXPPDADUVLXRR-AWEZNQCLSA-N -1 1 405.480 0.635 20 0 HCADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000617976386 1078851230 /nfs/dbraw/zinc/85/12/30/1078851230.db2.gz YIXPPDADUVLXRR-CQSZACIVSA-N -1 1 405.480 0.635 20 0 HCADMM COc1ccc(NC(=O)C(=O)NCc2nn[n-]n2)c(I)c1 ZINC000618025897 1078852281 /nfs/dbraw/zinc/85/22/81/1078852281.db2.gz WMEJQFJIOTZTIH-UHFFFAOYSA-N -1 1 402.152 0.068 20 0 HCADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3cc(S(N)(=O)=O)ccc3C)CC2)n1 ZINC000618289683 1078858263 /nfs/dbraw/zinc/85/82/63/1078858263.db2.gz CENOKMCHXCIGHV-UHFFFAOYSA-N -1 1 421.479 0.957 20 0 HCADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3ccc(C)c(S(N)(=O)=O)c3)CC2)n1 ZINC000618291107 1078858247 /nfs/dbraw/zinc/85/82/47/1078858247.db2.gz WKOLUNIKGFICJA-UHFFFAOYSA-N -1 1 421.479 0.957 20 0 HCADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3ccc(=O)n(CCOC)c3)CC2)n1 ZINC000618291113 1078858194 /nfs/dbraw/zinc/85/81/94/1078858194.db2.gz YFXQFTJNBJQAQN-UHFFFAOYSA-N -1 1 403.439 0.809 20 0 HCADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)c3ccc(S(N)(=O)=O)c(C)c3)CC2)n1 ZINC000618291136 1078858301 /nfs/dbraw/zinc/85/83/01/1078858301.db2.gz AQOBGPXAUJYANB-UHFFFAOYSA-N -1 1 421.479 0.957 20 0 HCADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)[C@H]3CCCCN3S(C)(=O)=O)CC2)n1 ZINC000618291162 1078858339 /nfs/dbraw/zinc/85/83/39/1078858339.db2.gz UETGIPUUCMSOGG-CYBMUJFWSA-N -1 1 413.500 0.502 20 0 HCADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)[C@@H]3CCCCN3S(C)(=O)=O)CC2)n1 ZINC000618291163 1078858228 /nfs/dbraw/zinc/85/82/28/1078858228.db2.gz UETGIPUUCMSOGG-ZDUSSCGKSA-N -1 1 413.500 0.502 20 0 HCADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)CS(=O)(=O)NC(C)(C)C)CC2)n1 ZINC000618292499 1078858382 /nfs/dbraw/zinc/85/83/82/1078858382.db2.gz WGPOZXKZBQXJGZ-UHFFFAOYSA-N -1 1 401.489 0.405 20 0 HCADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)NCCCN(C)S(C)(=O)=O)CC2)n1 ZINC000618355657 1078858746 /nfs/dbraw/zinc/85/87/46/1078858746.db2.gz HVIGTZIDTDVIHL-UHFFFAOYSA-N -1 1 416.504 0.152 20 0 HCADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)Nc3cnn(CC(=O)N(C)C)c3)CC2)n1 ZINC000618377972 1078859123 /nfs/dbraw/zinc/85/91/23/1078859123.db2.gz SZZNIYPXXXSBIJ-UHFFFAOYSA-N -1 1 418.458 0.678 20 0 HCADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)NCC(C)(C)NS(C)(=O)=O)CC2)n1 ZINC000618379415 1078859091 /nfs/dbraw/zinc/85/90/91/1078859091.db2.gz QMBOWQLRFOZSIO-UHFFFAOYSA-N -1 1 416.504 0.198 20 0 HCADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)Nc3cnn(CC(=O)NC)c3)CC2)n1 ZINC000618383328 1078859873 /nfs/dbraw/zinc/85/98/73/1078859873.db2.gz GYOPMKAQNMKADO-UHFFFAOYSA-N -1 1 404.431 0.335 20 0 HCADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)NCC(C)(C)S(C)(=O)=O)CC2)n1 ZINC000618390671 1078859183 /nfs/dbraw/zinc/85/91/83/1078859183.db2.gz HFEULBKGULHPLR-UHFFFAOYSA-N -1 1 401.489 0.694 20 0 HCADMM COCCNS(=O)(=O)c1ccc(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)cc1 ZINC000618487440 1078862724 /nfs/dbraw/zinc/86/27/24/1078862724.db2.gz CRVHWGKPJFFICL-INIZCTEOSA-N -1 1 416.463 0.644 20 0 HCADMM COCCNS(=O)(=O)c1ccc(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)cc1 ZINC000618487441 1078862639 /nfs/dbraw/zinc/86/26/39/1078862639.db2.gz CRVHWGKPJFFICL-MRXNPFEDSA-N -1 1 416.463 0.644 20 0 HCADMM COCCNS(=O)(=O)c1cccc(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)c1 ZINC000618487764 1078862679 /nfs/dbraw/zinc/86/26/79/1078862679.db2.gz DXSMPJVQNKHOSQ-INIZCTEOSA-N -1 1 416.463 0.644 20 0 HCADMM COCCNS(=O)(=O)c1cccc(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)c1 ZINC000618487765 1078862945 /nfs/dbraw/zinc/86/29/45/1078862945.db2.gz DXSMPJVQNKHOSQ-MRXNPFEDSA-N -1 1 416.463 0.644 20 0 HCADMM COc1ccc(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)cc1S(=O)(=O)N(C)C ZINC000618488031 1078862702 /nfs/dbraw/zinc/86/27/02/1078862702.db2.gz KBBIXINTVILLAY-INIZCTEOSA-N -1 1 416.463 0.978 20 0 HCADMM COc1ccc(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)cc1S(=O)(=O)N(C)C ZINC000618488032 1078862654 /nfs/dbraw/zinc/86/26/54/1078862654.db2.gz KBBIXINTVILLAY-MRXNPFEDSA-N -1 1 416.463 0.978 20 0 HCADMM O=C(CNC(=O)c1cnc2ccccc2c1O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000618488218 1078862740 /nfs/dbraw/zinc/86/27/40/1078862740.db2.gz NYEYVJXPDRLPPM-KRWDZBQOSA-N -1 1 403.402 0.677 20 0 HCADMM O=C(CNC(=O)c1cnc2ccccc2c1O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000618488219 1078862694 /nfs/dbraw/zinc/86/26/94/1078862694.db2.gz NYEYVJXPDRLPPM-QGZVFWFLSA-N -1 1 403.402 0.677 20 0 HCADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)C(=O)Nc3cnn(CC4CC4)c3)CC2)n1 ZINC000618552300 1078864552 /nfs/dbraw/zinc/86/45/52/1078864552.db2.gz PFFHEJYPFGSMND-UHFFFAOYSA-N -1 1 415.454 0.933 20 0 HCADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)C(=O)Nc3cnc(C4CC4)nc3)CC2)n1 ZINC000618552630 1078864515 /nfs/dbraw/zinc/86/45/15/1078864515.db2.gz DJLCGBLKPDXKSW-UHFFFAOYSA-N -1 1 413.438 0.994 20 0 HCADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)NCc3nnnn3C3CC3)c2)n1 ZINC000619033286 1078882370 /nfs/dbraw/zinc/88/23/70/1078882370.db2.gz RXRROCBMKQURRE-UHFFFAOYSA-N -1 1 411.426 0.969 20 0 HCADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)NCCC3CS(=O)(=O)C3)c2)n1 ZINC000619038675 1078883552 /nfs/dbraw/zinc/88/35/52/1078883552.db2.gz LKIYBGIGYBQPAO-UHFFFAOYSA-N -1 1 421.479 0.882 20 0 HCADMM CCOC(=O)c1nc(-c2cccc(CNC(=O)CCc3[nH]c(O)nc3O)c2)n[n-]1 ZINC000619141301 1078886610 /nfs/dbraw/zinc/88/66/10/1078886610.db2.gz MAMWBLZFERLMAR-GFCCVEGCSA-N -1 1 400.395 0.253 20 0 HCADMM CCOC(=O)c1nc(-c2cccc(CNC(=O)CCc3[nH]c(O)nc3O)c2)n[n-]1 ZINC000619141302 1078886492 /nfs/dbraw/zinc/88/64/92/1078886492.db2.gz MAMWBLZFERLMAR-LBPRGKRZSA-N -1 1 400.395 0.253 20 0 HCADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)CS(=O)(=O)NC(C)(C)C)c2)n1 ZINC000619141552 1078886511 /nfs/dbraw/zinc/88/65/11/1078886511.db2.gz RITQDDCGRLXSMB-UHFFFAOYSA-N -1 1 423.495 0.983 20 0 HCADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@@H]3CCCN3S(C)(=O)=O)c2)n1 ZINC000619143028 1078886750 /nfs/dbraw/zinc/88/67/50/1078886750.db2.gz UEPCORKUJCMEQO-AWEZNQCLSA-N -1 1 421.479 0.689 20 0 HCADMM CCOC(=O)c1n[n-]c(-c2cccc(CNC(=O)[C@H]3CCCN3S(C)(=O)=O)c2)n1 ZINC000619143029 1078886665 /nfs/dbraw/zinc/88/66/65/1078886665.db2.gz UEPCORKUJCMEQO-CQSZACIVSA-N -1 1 421.479 0.689 20 0 HCADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)Cn2nnc3ccccc3c2=O)n1 ZINC000619243838 1078891281 /nfs/dbraw/zinc/89/12/81/1078891281.db2.gz XRZBATVTMCJGPN-AWEZNQCLSA-N -1 1 413.438 0.990 20 0 HCADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)Cn2nnc3ccccc3c2=O)[n-]1 ZINC000619243838 1078891277 /nfs/dbraw/zinc/89/12/77/1078891277.db2.gz XRZBATVTMCJGPN-AWEZNQCLSA-N -1 1 413.438 0.990 20 0 HCADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)Cn2nnc3ccccc3c2=O)n[n-]1 ZINC000619243838 1078891274 /nfs/dbraw/zinc/89/12/74/1078891274.db2.gz XRZBATVTMCJGPN-AWEZNQCLSA-N -1 1 413.438 0.990 20 0 HCADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)Cn2nnc3ccccc3c2=O)n1 ZINC000619243845 1078891260 /nfs/dbraw/zinc/89/12/60/1078891260.db2.gz XRZBATVTMCJGPN-CQSZACIVSA-N -1 1 413.438 0.990 20 0 HCADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)Cn2nnc3ccccc3c2=O)[n-]1 ZINC000619243845 1078891256 /nfs/dbraw/zinc/89/12/56/1078891256.db2.gz XRZBATVTMCJGPN-CQSZACIVSA-N -1 1 413.438 0.990 20 0 HCADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)Cn2nnc3ccccc3c2=O)n[n-]1 ZINC000619243845 1078891250 /nfs/dbraw/zinc/89/12/50/1078891250.db2.gz XRZBATVTMCJGPN-CQSZACIVSA-N -1 1 413.438 0.990 20 0 HCADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)C2CCN(S(N)(=O)=O)CC2)n1 ZINC000619252939 1078892634 /nfs/dbraw/zinc/89/26/34/1078892634.db2.gz JZPHHEPDRPZKAW-GFCCVEGCSA-N -1 1 416.504 0.100 20 0 HCADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)C2CCN(S(N)(=O)=O)CC2)[n-]1 ZINC000619252939 1078892633 /nfs/dbraw/zinc/89/26/33/1078892633.db2.gz JZPHHEPDRPZKAW-GFCCVEGCSA-N -1 1 416.504 0.100 20 0 HCADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)C2CCN(S(N)(=O)=O)CC2)n[n-]1 ZINC000619252939 1078892629 /nfs/dbraw/zinc/89/26/29/1078892629.db2.gz JZPHHEPDRPZKAW-GFCCVEGCSA-N -1 1 416.504 0.100 20 0 HCADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)C2CCN(S(N)(=O)=O)CC2)n1 ZINC000619252940 1078892699 /nfs/dbraw/zinc/89/26/99/1078892699.db2.gz JZPHHEPDRPZKAW-LBPRGKRZSA-N -1 1 416.504 0.100 20 0 HCADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)C2CCN(S(N)(=O)=O)CC2)[n-]1 ZINC000619252940 1078892696 /nfs/dbraw/zinc/89/26/96/1078892696.db2.gz JZPHHEPDRPZKAW-LBPRGKRZSA-N -1 1 416.504 0.100 20 0 HCADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)C2CCN(S(N)(=O)=O)CC2)n[n-]1 ZINC000619252940 1078892694 /nfs/dbraw/zinc/89/26/94/1078892694.db2.gz JZPHHEPDRPZKAW-LBPRGKRZSA-N -1 1 416.504 0.100 20 0 HCADMM CCOC(=O)c1n[n-]c([C@@H](CC(C)C)NC(=O)CCN2CCCS2(=O)=O)n1 ZINC000619252982 1078892673 /nfs/dbraw/zinc/89/26/73/1078892673.db2.gz NNPKJUZGYHCUTM-GFCCVEGCSA-N -1 1 401.489 0.610 20 0 HCADMM CCOC(=O)c1nnc([C@@H](CC(C)C)NC(=O)CCN2CCCS2(=O)=O)[n-]1 ZINC000619252982 1078892669 /nfs/dbraw/zinc/89/26/69/1078892669.db2.gz NNPKJUZGYHCUTM-GFCCVEGCSA-N -1 1 401.489 0.610 20 0 HCADMM CCOC(=O)c1nc([C@@H](CC(C)C)NC(=O)CCN2CCCS2(=O)=O)n[n-]1 ZINC000619252982 1078892668 /nfs/dbraw/zinc/89/26/68/1078892668.db2.gz NNPKJUZGYHCUTM-GFCCVEGCSA-N -1 1 401.489 0.610 20 0 HCADMM CCOC(=O)c1n[n-]c([C@H](CC(C)C)NC(=O)CCN2CCCS2(=O)=O)n1 ZINC000619252983 1078892607 /nfs/dbraw/zinc/89/26/07/1078892607.db2.gz NNPKJUZGYHCUTM-LBPRGKRZSA-N -1 1 401.489 0.610 20 0 HCADMM CCOC(=O)c1nnc([C@H](CC(C)C)NC(=O)CCN2CCCS2(=O)=O)[n-]1 ZINC000619252983 1078892605 /nfs/dbraw/zinc/89/26/05/1078892605.db2.gz NNPKJUZGYHCUTM-LBPRGKRZSA-N -1 1 401.489 0.610 20 0 HCADMM CCOC(=O)c1nc([C@H](CC(C)C)NC(=O)CCN2CCCS2(=O)=O)n[n-]1 ZINC000619252983 1078892601 /nfs/dbraw/zinc/89/26/01/1078892601.db2.gz NNPKJUZGYHCUTM-LBPRGKRZSA-N -1 1 401.489 0.610 20 0 HCADMM CCOC(=O)c1sc(C[N-]S(=O)(=O)c2ccc(S(C)(=O)=O)nc2)nc1C ZINC000619489627 1078904420 /nfs/dbraw/zinc/90/44/20/1078904420.db2.gz WENKXYSTEBYZNV-UHFFFAOYSA-N -1 1 419.506 0.905 20 0 HCADMM COC(=O)[C@@H]([N-]S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)c1ccccc1F ZINC000619490583 1078904965 /nfs/dbraw/zinc/90/49/65/1078904965.db2.gz QDQCWNNKRAYJDW-HNNXBMFYSA-N -1 1 422.500 0.631 20 0 HCADMM COC(=O)[C@H]([N-]S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)c1ccccc1F ZINC000619490584 1078904975 /nfs/dbraw/zinc/90/49/75/1078904975.db2.gz QDQCWNNKRAYJDW-OAHLLOKOSA-N -1 1 422.500 0.631 20 0 HCADMM COC(=O)c1cc(F)c(Br)cc1NC(=O)C(=O)NCc1nn[n-]n1 ZINC000619519274 1078910122 /nfs/dbraw/zinc/91/01/22/1078910122.db2.gz XSIIUTQJTLUIIW-UHFFFAOYSA-N -1 1 401.152 0.143 20 0 HCADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)Nc3ccc(C(=O)OC)nn3)CC2)n1 ZINC000619637171 1078921425 /nfs/dbraw/zinc/92/14/25/1078921425.db2.gz SQVQUVORZPCKEH-UHFFFAOYSA-N -1 1 403.399 0.970 20 0 HCADMM CCOC(=O)c1ccc(C[N-]S(=O)(=O)c2ccccc2S(=O)(=O)NC)o1 ZINC000619680030 1078924514 /nfs/dbraw/zinc/92/45/14/1078924514.db2.gz XWZSFPMBRMFFAC-UHFFFAOYSA-N -1 1 402.450 0.843 20 0 HCADMM CS(=O)(=O)NC1CC(NC(=O)c2cc(I)ccc2[O-])C1 ZINC000619778612 1078936196 /nfs/dbraw/zinc/93/61/96/1078936196.db2.gz LGKAMWMHZCMJQT-UHFFFAOYSA-N -1 1 410.233 0.807 20 0 HCADMM CS(=O)(=O)NC1CC(NC(=O)c2ccc(I)c([O-])c2)C1 ZINC000619778751 1078936355 /nfs/dbraw/zinc/93/63/55/1078936355.db2.gz RJFIRNAKXAJHTF-UHFFFAOYSA-N -1 1 410.233 0.807 20 0 HCADMM COC(=O)Cc1c(C(=O)OC)sc2[n-]c(CN3CC[C@@](F)(CO)C3)nc(=O)c12 ZINC000619816229 1078943414 /nfs/dbraw/zinc/94/34/14/1078943414.db2.gz TXJLRYUYPWXYED-KRWDZBQOSA-N -1 1 413.427 0.393 20 0 HCADMM COC(=O)Cc1c(C(=O)OC)sc2[n-]c(CN3CC[C@](F)(CO)C3)nc(=O)c12 ZINC000619816230 1078943476 /nfs/dbraw/zinc/94/34/76/1078943476.db2.gz TXJLRYUYPWXYED-QGZVFWFLSA-N -1 1 413.427 0.393 20 0 HCADMM CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC(N)=O)c2)cc1 ZINC000619855652 1078949100 /nfs/dbraw/zinc/94/91/00/1078949100.db2.gz KEXIYMZJKONQMZ-UHFFFAOYSA-N -1 1 404.448 0.975 20 0 HCADMM COC(=O)c1cccc(NS(=O)(=O)c2ccc(C(=O)NCC(=O)[O-])cc2)c1N ZINC000619855924 1078949754 /nfs/dbraw/zinc/94/97/54/1078949754.db2.gz VWOFLLKGSUHVCK-UHFFFAOYSA-N -1 1 407.404 0.671 20 0 HCADMM CCOC(=O)c1c[n-]c(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1 ZINC000619865083 1078950291 /nfs/dbraw/zinc/95/02/91/1078950291.db2.gz MDCYOYIVSAYDOS-UHFFFAOYSA-N -1 1 408.436 0.860 20 0 HCADMM CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000619873833 1078951332 /nfs/dbraw/zinc/95/13/32/1078951332.db2.gz HXGVUDDZUYNMQF-CYBMUJFWSA-N -1 1 414.842 0.965 20 0 HCADMM CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)c1cc(Cl)c([O-])c(OCC)c1 ZINC000619873836 1078951220 /nfs/dbraw/zinc/95/12/20/1078951220.db2.gz HXGVUDDZUYNMQF-ZDUSSCGKSA-N -1 1 414.842 0.965 20 0 HCADMM CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)c1cc(Br)ccc1[O-] ZINC000619876514 1078957765 /nfs/dbraw/zinc/95/77/65/1078957765.db2.gz YQRPVHRILJKXPY-GFCCVEGCSA-N -1 1 415.240 0.675 20 0 HCADMM CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)c1cc(Br)ccc1[O-] ZINC000619876515 1078957890 /nfs/dbraw/zinc/95/78/90/1078957890.db2.gz YQRPVHRILJKXPY-LBPRGKRZSA-N -1 1 415.240 0.675 20 0 HCADMM CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000619876659 1078957961 /nfs/dbraw/zinc/95/79/61/1078957961.db2.gz UUPLUACNJCMECR-GFCCVEGCSA-N -1 1 404.341 0.931 20 0 HCADMM CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000619876660 1078957726 /nfs/dbraw/zinc/95/77/26/1078957726.db2.gz UUPLUACNJCMECR-LBPRGKRZSA-N -1 1 404.341 0.931 20 0 HCADMM CNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CC1 ZINC000620040251 1078976261 /nfs/dbraw/zinc/97/62/61/1078976261.db2.gz YGXOYWXCSWDTBU-UHFFFAOYSA-N -1 1 416.503 0.991 20 0 HCADMM CNC(=O)CN1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC1 ZINC000620040595 1078976302 /nfs/dbraw/zinc/97/63/02/1078976302.db2.gz COGOXEMDJCNLNH-UHFFFAOYSA-N -1 1 416.503 0.991 20 0 HCADMM CCNC(=O)CN1CCCN(C(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CC1 ZINC000620198816 1078993097 /nfs/dbraw/zinc/99/30/97/1078993097.db2.gz ODPZOMQHGJSZGZ-UHFFFAOYSA-N -1 1 414.528 0.640 20 0 HCADMM CN(C)S(=O)(=O)c1cccc(NC(=O)CS(=O)(=O)c2n[n-]c(C3CC3)n2)c1 ZINC000620234611 1078997138 /nfs/dbraw/zinc/99/71/38/1078997138.db2.gz CLPNEEGVYDPPGW-UHFFFAOYSA-N -1 1 413.481 0.345 20 0 HCADMM Cn1cc(S(=O)(=O)[N-]C[C@H]2CCN(c3ccc(F)c(F)c3)C2)c(=O)n(C)c1=O ZINC000620508324 1079014541 /nfs/dbraw/zinc/01/45/41/1079014541.db2.gz FRAJFOBFDMAADS-LLVKDONJSA-N -1 1 414.434 0.167 20 0 HCADMM Cn1cc(S(=O)(=O)[N-]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)c(=O)n(C)c1=O ZINC000620508325 1079014379 /nfs/dbraw/zinc/01/43/79/1079014379.db2.gz FRAJFOBFDMAADS-NSHDSACASA-N -1 1 414.434 0.167 20 0 HCADMM CC(=O)NCC(=O)NCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000620598283 1079018356 /nfs/dbraw/zinc/01/83/56/1079018356.db2.gz UDMCCMHQDWXPIC-UHFFFAOYSA-N -1 1 404.448 0.678 20 0 HCADMM Cn1cc(S(=O)(=O)[N-]C[C@H]2CCN(c3ccc(Cl)cc3)C2)c(=O)n(C)c1=O ZINC000620624705 1079020818 /nfs/dbraw/zinc/02/08/18/1079020818.db2.gz RBNKRKBPJATSFF-GFCCVEGCSA-N -1 1 412.899 0.542 20 0 HCADMM Cn1cc(S(=O)(=O)[N-]C[C@@H]2CCN(c3ccc(Cl)cc3)C2)c(=O)n(C)c1=O ZINC000620624706 1079020913 /nfs/dbraw/zinc/02/09/13/1079020913.db2.gz RBNKRKBPJATSFF-LBPRGKRZSA-N -1 1 412.899 0.542 20 0 HCADMM CS(=O)(=O)N1CCN(CC[N-]S(=O)(=O)c2cc(Cl)sc2Cl)CC1 ZINC000620943162 1079041268 /nfs/dbraw/zinc/04/12/68/1079041268.db2.gz WOPAWCOJGHEQSU-UHFFFAOYSA-N -1 1 422.381 0.910 20 0 HCADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000621103274 1079054035 /nfs/dbraw/zinc/05/40/35/1079054035.db2.gz BMPROAQXSNYPOV-UHFFFAOYSA-N -1 1 412.494 0.718 20 0 HCADMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCCCN(C)S(C)(=O)=O ZINC000621110629 1079054389 /nfs/dbraw/zinc/05/43/89/1079054389.db2.gz JKBSWKJTDVMZFR-UHFFFAOYSA-N -1 1 407.496 0.883 20 0 HCADMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])[C@@H]1CCc2nccn2C1 ZINC000621543403 1079068311 /nfs/dbraw/zinc/06/83/11/1079068311.db2.gz LYRNTQAMYDIJIA-CYBMUJFWSA-N -1 1 406.464 0.811 20 0 HCADMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])[C@H]1CCc2nccn2C1 ZINC000621543404 1079068346 /nfs/dbraw/zinc/06/83/46/1079068346.db2.gz LYRNTQAMYDIJIA-ZDUSSCGKSA-N -1 1 406.464 0.811 20 0 HCADMM Cn1cc(S(=O)(=O)[N-]Cc2ccc(Br)c(F)c2)c(=O)n(C)c1=O ZINC000621691944 1079074047 /nfs/dbraw/zinc/07/40/47/1079074047.db2.gz VLIKWFYKUFIPMZ-UHFFFAOYSA-N -1 1 406.233 0.464 20 0 HCADMM CSc1nc(C)c(CCC(=O)N2CCN(c3ncccc3C(N)=O)CC2)c(=O)[n-]1 ZINC000622493394 1079114762 /nfs/dbraw/zinc/11/47/62/1079114762.db2.gz GWYKMOAKXNHBDO-UHFFFAOYSA-N -1 1 416.507 0.988 20 0 HCADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CN(C)Cc2nnc(C)n2C)c1 ZINC000622503294 1079114127 /nfs/dbraw/zinc/11/41/27/1079114127.db2.gz KYURUSTWUOJLHA-UHFFFAOYSA-N -1 1 424.527 0.930 20 0 HCADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)C1CCN(c2ccc3nncn3n2)CC1 ZINC000622609942 1079121410 /nfs/dbraw/zinc/12/14/10/1079121410.db2.gz LPDRJZITIQWTCI-KRWDZBQOSA-N -1 1 404.438 0.760 20 0 HCADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)C1CCN(c2ccc3nncn3n2)CC1 ZINC000622609943 1079121313 /nfs/dbraw/zinc/12/13/13/1079121313.db2.gz LPDRJZITIQWTCI-QGZVFWFLSA-N -1 1 404.438 0.760 20 0 HCADMM O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000622609996 1079121229 /nfs/dbraw/zinc/12/12/29/1079121229.db2.gz NDSPHKYFAIPFBB-HNNXBMFYSA-N -1 1 418.435 0.333 20 0 HCADMM O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000622609997 1079121369 /nfs/dbraw/zinc/12/13/69/1079121369.db2.gz NDSPHKYFAIPFBB-OAHLLOKOSA-N -1 1 418.435 0.333 20 0 HCADMM Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000622610635 1079121896 /nfs/dbraw/zinc/12/18/96/1079121896.db2.gz ZKQHNXDDPOAORZ-KRWDZBQOSA-N -1 1 419.449 0.797 20 0 HCADMM Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000622610636 1079121824 /nfs/dbraw/zinc/12/18/24/1079121824.db2.gz ZKQHNXDDPOAORZ-QGZVFWFLSA-N -1 1 419.449 0.797 20 0 HCADMM CNS(=O)(=O)c1cc(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)ccc1OC ZINC000622611289 1079121263 /nfs/dbraw/zinc/12/12/63/1079121263.db2.gz AQLKPANDIVAWSH-HNNXBMFYSA-N -1 1 402.436 0.636 20 0 HCADMM CNS(=O)(=O)c1cc(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)ccc1OC ZINC000622611290 1079121280 /nfs/dbraw/zinc/12/12/80/1079121280.db2.gz AQLKPANDIVAWSH-OAHLLOKOSA-N -1 1 402.436 0.636 20 0 HCADMM COc1cc(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)cc(OC)c1OCC(N)=O ZINC000622611357 1079121391 /nfs/dbraw/zinc/12/13/91/1079121391.db2.gz CCANNNZYHXQGLL-INIZCTEOSA-N -1 1 412.406 0.600 20 0 HCADMM COc1cc(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)cc(OC)c1OCC(N)=O ZINC000622611358 1079121215 /nfs/dbraw/zinc/12/12/15/1079121215.db2.gz CCANNNZYHXQGLL-MRXNPFEDSA-N -1 1 412.406 0.600 20 0 HCADMM COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)cc1 ZINC000622611459 1079121244 /nfs/dbraw/zinc/12/12/44/1079121244.db2.gz FLTDISZWDIBDBF-BLLLJJGKSA-N -1 1 416.463 0.781 20 0 HCADMM COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)cc1 ZINC000622611460 1079121356 /nfs/dbraw/zinc/12/13/56/1079121356.db2.gz FLTDISZWDIBDBF-LRDDRELGSA-N -1 1 416.463 0.781 20 0 HCADMM CC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@H](c2nn[n-]n2)c2ccccc2)cc1 ZINC000622611761 1079122978 /nfs/dbraw/zinc/12/29/78/1079122978.db2.gz JWVQVFNUWWPOBX-KRWDZBQOSA-N -1 1 414.447 0.586 20 0 HCADMM CC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)cc1 ZINC000622611762 1079122901 /nfs/dbraw/zinc/12/29/01/1079122901.db2.gz JWVQVFNUWWPOBX-QGZVFWFLSA-N -1 1 414.447 0.586 20 0 HCADMM CS(=O)(=O)NCCc1ccc(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)cc1 ZINC000622611879 1079122964 /nfs/dbraw/zinc/12/29/64/1079122964.db2.gz MZRNKTHUTSTXEK-INIZCTEOSA-N -1 1 400.464 0.811 20 0 HCADMM CS(=O)(=O)NCCc1ccc(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)cc1 ZINC000622611880 1079122989 /nfs/dbraw/zinc/12/29/89/1079122989.db2.gz MZRNKTHUTSTXEK-MRXNPFEDSA-N -1 1 400.464 0.811 20 0 HCADMM O=C(CCNS(=O)(=O)c1ccc(F)cc1)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000622612123 1079120190 /nfs/dbraw/zinc/12/01/90/1079120190.db2.gz QBVAQPMEGMQPGW-INIZCTEOSA-N -1 1 404.427 0.913 20 0 HCADMM O=C(CCNS(=O)(=O)c1ccc(F)cc1)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000622612124 1079120165 /nfs/dbraw/zinc/12/01/65/1079120165.db2.gz QBVAQPMEGMQPGW-MRXNPFEDSA-N -1 1 404.427 0.913 20 0 HCADMM CS(=O)(=O)NCCc1ccc(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)s1 ZINC000622612236 1079121976 /nfs/dbraw/zinc/12/19/76/1079121976.db2.gz SCDJDNZJNHQKSD-AWEZNQCLSA-N -1 1 406.493 0.872 20 0 HCADMM CS(=O)(=O)NCCc1ccc(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)s1 ZINC000622612241 1079121962 /nfs/dbraw/zinc/12/19/62/1079121962.db2.gz SCDJDNZJNHQKSD-CQSZACIVSA-N -1 1 406.493 0.872 20 0 HCADMM C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000622612336 1079122397 /nfs/dbraw/zinc/12/23/97/1079122397.db2.gz UUDATGVRUFIEEJ-NHYWBVRUSA-N -1 1 404.427 0.911 20 0 HCADMM C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000622612337 1079122499 /nfs/dbraw/zinc/12/24/99/1079122499.db2.gz UUDATGVRUFIEEJ-XHDPSFHLSA-N -1 1 404.427 0.911 20 0 HCADMM O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)N[C@H](c1nn[n-]n1)c1ccccc1 ZINC000622612468 1079121916 /nfs/dbraw/zinc/12/19/16/1079121916.db2.gz XTOMMDGUYZWDLL-IBGZPJMESA-N -1 1 417.429 0.477 20 0 HCADMM O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)N[C@@H](c1nn[n-]n1)c1ccccc1 ZINC000622612469 1079121864 /nfs/dbraw/zinc/12/18/64/1079121864.db2.gz XTOMMDGUYZWDLL-LJQANCHMSA-N -1 1 417.429 0.477 20 0 HCADMM CNS(=O)(=O)c1ccc(CCC(=O)N[C@H](c2nn[n-]n2)c2ccccc2)cc1 ZINC000622612813 1081241593 /nfs/dbraw/zinc/24/15/93/1081241593.db2.gz ZLSMVVXBCCGERT-KRWDZBQOSA-N -1 1 400.464 0.946 20 0 HCADMM CNS(=O)(=O)c1ccc(CCC(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)cc1 ZINC000622612814 1081241690 /nfs/dbraw/zinc/24/16/90/1081241690.db2.gz ZLSMVVXBCCGERT-QGZVFWFLSA-N -1 1 400.464 0.946 20 0 HCADMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCC(N)=O)cc2)cc1NC(C)=O ZINC000622650295 1079123694 /nfs/dbraw/zinc/12/36/94/1079123694.db2.gz VFODLLZSPGFMJV-UHFFFAOYSA-N -1 1 420.447 0.670 20 0 HCADMM Cn1c(N)c(C(=O)CN2CCC(C(=O)c3ccc([O-])cc3)CC2)c(=O)n(C)c1=O ZINC000623172568 1079191093 /nfs/dbraw/zinc/19/10/93/1079191093.db2.gz WPTRTWYZWCWVTE-UHFFFAOYSA-N -1 1 400.435 0.149 20 0 HCADMM CN(C)C(=O)CN1CCN(C(=O)CN2CCC(C(=O)c3ccc([O-])cc3)CC2)CC1 ZINC000623172702 1079190636 /nfs/dbraw/zinc/19/06/36/1079190636.db2.gz KRAWSYJFOBIVKV-UHFFFAOYSA-N -1 1 416.522 0.519 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CSC[C@@H]2C(=O)N(C)Cc2ccco2)o1 ZINC000623189303 1079195739 /nfs/dbraw/zinc/19/57/39/1079195739.db2.gz GOLAIKBVLHUWSV-GFCCVEGCSA-N -1 1 413.477 0.954 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CSC[C@H]2C(=O)N(C)Cc2ccco2)o1 ZINC000623189304 1079195655 /nfs/dbraw/zinc/19/56/55/1079195655.db2.gz GOLAIKBVLHUWSV-LBPRGKRZSA-N -1 1 413.477 0.954 20 0 HCADMM COCCOCC(=O)NC1CCC(C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)CC1 ZINC000623479823 1079223901 /nfs/dbraw/zinc/22/39/01/1079223901.db2.gz RBMLBDIYBSUURJ-HTWSVDAQSA-N -1 1 416.482 0.743 20 0 HCADMM COCCOCC(=O)NC1CCC(C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)CC1 ZINC000623479824 1079224310 /nfs/dbraw/zinc/22/43/10/1079224310.db2.gz RBMLBDIYBSUURJ-LEOMRAHMSA-N -1 1 416.482 0.743 20 0 HCADMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])C1(C(=O)NC2CC2)CC1 ZINC000623838521 1079273103 /nfs/dbraw/zinc/27/31/03/1079273103.db2.gz AMGHYSAXJUCLLO-UHFFFAOYSA-N -1 1 409.464 0.410 20 0 HCADMM NS(=O)(=O)c1cnn(CCC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000624029760 1079280852 /nfs/dbraw/zinc/28/08/52/1079280852.db2.gz OCWWKYGMHFQJTE-UHFFFAOYSA-N -1 1 406.464 0.748 20 0 HCADMM CN(CC(=O)Nc1nnc(S(C)(=O)=O)[n-]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000624723335 1080189098 /nfs/dbraw/zinc/18/90/98/1080189098.db2.gz YNFQVGMUBQHSTA-UHFFFAOYSA-N -1 1 407.861 0.121 20 0 HCADMM CN(CC(=O)Nc1nc(S(C)(=O)=O)n[n-]1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000624723335 1080189094 /nfs/dbraw/zinc/18/90/94/1080189094.db2.gz YNFQVGMUBQHSTA-UHFFFAOYSA-N -1 1 407.861 0.121 20 0 HCADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCCC(=O)Nc1cccnc1 ZINC000624748981 1080305142 /nfs/dbraw/zinc/30/51/42/1080305142.db2.gz QWSLUNILLCJUER-UHFFFAOYSA-N -1 1 414.466 0.800 20 0 HCADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NC[C@H](O)COc1ccccc1 ZINC000642271278 1077467269 /nfs/dbraw/zinc/46/72/69/1077467269.db2.gz JITBXAGJMKWPLY-INIZCTEOSA-N -1 1 416.478 0.816 20 0 HCADMM C[C@@]1(c2cccc([N-]S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)c2)NC(=O)NC1=O ZINC000642613465 1080086122 /nfs/dbraw/zinc/08/61/22/1080086122.db2.gz LXHULQXCGHXXAG-INIZCTEOSA-N -1 1 424.460 0.189 20 0 HCADMM C[C@]1(c2cccc([N-]S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)c2)NC(=O)NC1=O ZINC000642613466 1080086023 /nfs/dbraw/zinc/08/60/23/1080086023.db2.gz LXHULQXCGHXXAG-MRXNPFEDSA-N -1 1 424.460 0.189 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CCN(C)C(=O)C2)c(OC)c1 ZINC000669674653 1073500125 /nfs/dbraw/zinc/50/01/25/1073500125.db2.gz UEJDLWKZHJECQI-CYBMUJFWSA-N -1 1 419.525 0.746 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2CCN(C)C(=O)C2)c(OC)c1 ZINC000669674654 1073500007 /nfs/dbraw/zinc/50/00/07/1073500007.db2.gz UEJDLWKZHJECQI-ZDUSSCGKSA-N -1 1 419.525 0.746 20 0 HCADMM COc1ccc(NC(=O)C(=O)N2CC(C3CCOCC3)C2)cc1[N-]S(C)(=O)=O ZINC000669744439 1074250327 /nfs/dbraw/zinc/25/03/27/1074250327.db2.gz URTAJKWAJYXUOD-UHFFFAOYSA-N -1 1 411.480 0.890 20 0 HCADMM CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(N)=O)[nH]n2)c1 ZINC000669840749 1075440916 /nfs/dbraw/zinc/44/09/16/1075440916.db2.gz PKIPQQLLXMXVGE-UHFFFAOYSA-N -1 1 401.470 0.340 20 0 HCADMM CS(=O)(=O)N1CCN(CCNC(=O)c2c([O-])cnc3ccc(Cl)cc32)CC1 ZINC000669946590 1077281599 /nfs/dbraw/zinc/28/15/99/1077281599.db2.gz VXNTUXVWBPMLCR-UHFFFAOYSA-N -1 1 412.899 0.901 20 0 HCADMM COc1ccc(NC(=O)NC2CC(NS(C)(=O)=O)C2)cc1[N-]S(C)(=O)=O ZINC000669956356 1077301234 /nfs/dbraw/zinc/30/12/34/1077301234.db2.gz VCCZPQVBHXADFM-UHFFFAOYSA-N -1 1 406.486 0.268 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@](F)(CO)C2)c(OC)c1 ZINC000669982737 1077325400 /nfs/dbraw/zinc/32/54/00/1077325400.db2.gz KGMZDKKBVZSVGV-HNNXBMFYSA-N -1 1 410.489 0.942 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@](F)(CO)C2)c(OC)c1 ZINC000669982738 1077325516 /nfs/dbraw/zinc/32/55/16/1077325516.db2.gz KGMZDKKBVZSVGV-OAHLLOKOSA-N -1 1 410.489 0.942 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H]2CCN(CC)C2=O)c(OC)c1 ZINC000669984110 1077327280 /nfs/dbraw/zinc/32/72/80/1077327280.db2.gz TWNMMKZGLUCXNJ-CYBMUJFWSA-N -1 1 419.525 0.746 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H]2CCN(CC)C2=O)c(OC)c1 ZINC000669984111 1077327419 /nfs/dbraw/zinc/32/74/19/1077327419.db2.gz TWNMMKZGLUCXNJ-ZDUSSCGKSA-N -1 1 419.525 0.746 20 0 HCADMM CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2(c3nn[n-]n3)CCCC2)cc1 ZINC000670070356 1077563255 /nfs/dbraw/zinc/56/32/55/1077563255.db2.gz VQXNFMDCIAELBN-NSHDSACASA-N -1 1 406.468 0.655 20 0 HCADMM Cn1[n-]c(CN2CCN(Cc3nc(=O)n(C)[nH]3)[C@H](c3ccccc3Cl)C2)nc1=O ZINC000670095446 1077624913 /nfs/dbraw/zinc/62/49/13/1077624913.db2.gz IIOLBWAXJDJKQH-AWEZNQCLSA-N -1 1 418.889 0.243 20 0 HCADMM Cn1[n-]c(CN2CCN(Cc3nc(=O)n(C)[nH]3)C[C@H]2c2ccccc2Cl)nc1=O ZINC000670095446 1077624908 /nfs/dbraw/zinc/62/49/08/1077624908.db2.gz IIOLBWAXJDJKQH-AWEZNQCLSA-N -1 1 418.889 0.243 20 0 HCADMM Cn1[n-]c(CN2CCN(Cc3nc(=O)n(C)[nH]3)[C@@H](c3ccccc3Cl)C2)nc1=O ZINC000670095447 1077624715 /nfs/dbraw/zinc/62/47/15/1077624715.db2.gz IIOLBWAXJDJKQH-CQSZACIVSA-N -1 1 418.889 0.243 20 0 HCADMM Cn1[n-]c(CN2CCN(Cc3nc(=O)n(C)[nH]3)C[C@@H]2c2ccccc2Cl)nc1=O ZINC000670095447 1077624685 /nfs/dbraw/zinc/62/46/85/1077624685.db2.gz IIOLBWAXJDJKQH-CQSZACIVSA-N -1 1 418.889 0.243 20 0 HCADMM COc1ccc2c(c1)OCCN(C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)C2 ZINC000670141073 1077768475 /nfs/dbraw/zinc/76/84/75/1077768475.db2.gz ZVKUMPHPWYFQPB-UHFFFAOYSA-N -1 1 409.420 0.087 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@](F)(c3ccccc3F)C2)o1 ZINC000670154259 1077816564 /nfs/dbraw/zinc/81/65/64/1077816564.db2.gz KMIQROCZKQOHMN-KRWDZBQOSA-N -1 1 413.402 0.893 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@](F)(c3ccccc3F)C2)o1 ZINC000670154260 1077816539 /nfs/dbraw/zinc/81/65/39/1077816539.db2.gz KMIQROCZKQOHMN-QGZVFWFLSA-N -1 1 413.402 0.893 20 0 HCADMM COc1ccc(-c2nc(S(=O)(=O)[C@@H](C)C(=O)N3CCC[C@H](C(N)=O)C3)n[n-]2)cc1 ZINC000670328635 1078176830 /nfs/dbraw/zinc/17/68/30/1078176830.db2.gz SKZLCKXKHFIZSP-AAEUAGOBSA-N -1 1 421.479 0.366 20 0 HCADMM COc1ccc(-c2n[n-]c(S(=O)(=O)[C@@H](C)C(=O)N3CCC[C@H](C(N)=O)C3)n2)cc1 ZINC000670328635 1078176821 /nfs/dbraw/zinc/17/68/21/1078176821.db2.gz SKZLCKXKHFIZSP-AAEUAGOBSA-N -1 1 421.479 0.366 20 0 HCADMM COc1ccc(-c2nc(S(=O)(=O)[C@H](C)C(=O)N3CCC[C@@H](C(N)=O)C3)n[n-]2)cc1 ZINC000670328636 1078176712 /nfs/dbraw/zinc/17/67/12/1078176712.db2.gz SKZLCKXKHFIZSP-DGCLKSJQSA-N -1 1 421.479 0.366 20 0 HCADMM COc1ccc(-c2n[n-]c(S(=O)(=O)[C@H](C)C(=O)N3CCC[C@@H](C(N)=O)C3)n2)cc1 ZINC000670328636 1078176697 /nfs/dbraw/zinc/17/66/97/1078176697.db2.gz SKZLCKXKHFIZSP-DGCLKSJQSA-N -1 1 421.479 0.366 20 0 HCADMM COc1ccc(-c2nc(S(=O)(=O)[C@@H](C)C(=O)N3CCC[C@@H](C(N)=O)C3)n[n-]2)cc1 ZINC000670328637 1078176929 /nfs/dbraw/zinc/17/69/29/1078176929.db2.gz SKZLCKXKHFIZSP-WCQYABFASA-N -1 1 421.479 0.366 20 0 HCADMM COc1ccc(-c2n[n-]c(S(=O)(=O)[C@@H](C)C(=O)N3CCC[C@@H](C(N)=O)C3)n2)cc1 ZINC000670328637 1078176912 /nfs/dbraw/zinc/17/69/12/1078176912.db2.gz SKZLCKXKHFIZSP-WCQYABFASA-N -1 1 421.479 0.366 20 0 HCADMM COc1ccc(-c2nc(S(=O)(=O)[C@H](C)C(=O)N3CCC[C@H](C(N)=O)C3)n[n-]2)cc1 ZINC000670328638 1078177456 /nfs/dbraw/zinc/17/74/56/1078177456.db2.gz SKZLCKXKHFIZSP-YPMHNXCESA-N -1 1 421.479 0.366 20 0 HCADMM COc1ccc(-c2n[n-]c(S(=O)(=O)[C@H](C)C(=O)N3CCC[C@H](C(N)=O)C3)n2)cc1 ZINC000670328638 1078177445 /nfs/dbraw/zinc/17/74/45/1078177445.db2.gz SKZLCKXKHFIZSP-YPMHNXCESA-N -1 1 421.479 0.366 20 0 HCADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@H]3CC(=O)N(C)C3=O)c2)cc1 ZINC000670410832 1078334331 /nfs/dbraw/zinc/33/43/31/1078334331.db2.gz KDIMNXHVXNQOLP-INIZCTEOSA-N -1 1 417.443 0.983 20 0 HCADMM COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)N[C@@H]3CC(=O)N(C)C3=O)c2)cc1 ZINC000670410833 1078334297 /nfs/dbraw/zinc/33/42/97/1078334297.db2.gz KDIMNXHVXNQOLP-MRXNPFEDSA-N -1 1 417.443 0.983 20 0 HCADMM O=C(N[C@H]1CCN(CCN2CCOCC2)C1)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000670788547 1078704815 /nfs/dbraw/zinc/70/48/15/1078704815.db2.gz RXFKANKLPVAYFG-INIZCTEOSA-N -1 1 403.458 0.853 20 0 HCADMM O=C(N[C@@H]1CCN(CCN2CCOCC2)C1)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000670788548 1078704979 /nfs/dbraw/zinc/70/49/79/1078704979.db2.gz RXFKANKLPVAYFG-MRXNPFEDSA-N -1 1 403.458 0.853 20 0 HCADMM COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)[N-]c1cc(C(N)=O)n[nH]1 ZINC000671151730 1079080092 /nfs/dbraw/zinc/08/00/92/1079080092.db2.gz FISGZBZXBOUXQN-UHFFFAOYSA-N -1 1 401.832 0.673 20 0 HCADMM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1cc(S(=O)(=O)N(C)C)ccc1N(C)C ZINC000671151795 1079079976 /nfs/dbraw/zinc/07/99/76/1079079976.db2.gz SLBRMIFAUQEACJ-LLVKDONJSA-N -1 1 406.530 0.221 20 0 HCADMM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]c1cc(S(=O)(=O)N(C)C)ccc1N(C)C ZINC000671151796 1079080021 /nfs/dbraw/zinc/08/00/21/1079080021.db2.gz SLBRMIFAUQEACJ-NSHDSACASA-N -1 1 406.530 0.221 20 0 HCADMM CNS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1ccc2c(c1F)CCNC2=O ZINC000671167003 1079087481 /nfs/dbraw/zinc/08/74/81/1079087481.db2.gz GTTUJXZKKMSTGB-UHFFFAOYSA-N -1 1 413.452 0.821 20 0 HCADMM CCc1nn(C)c(CC)c1S(=O)(=O)[N-][C@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000671669381 1079653822 /nfs/dbraw/zinc/65/38/22/1079653822.db2.gz YOTYCZVGNPIPAA-LLVKDONJSA-N -1 1 420.479 0.646 20 0 HCADMM CCc1nn(C)c(CC)c1S(=O)(=O)[N-][C@@H](CS(=O)(=O)N(C)C)C(F)(F)F ZINC000671669382 1079653706 /nfs/dbraw/zinc/65/37/06/1079653706.db2.gz YOTYCZVGNPIPAA-NSHDSACASA-N -1 1 420.479 0.646 20 0 HCADMM Cn1cc(S(N)(=O)=O)cc1C(=O)N[C@@H](c1nn[n-]n1)c1ccc(Cl)c(F)c1 ZINC000671796936 1080025041 /nfs/dbraw/zinc/02/50/41/1080025041.db2.gz SRGCNDMQYAWCTR-GFCCVEGCSA-N -1 1 413.822 0.498 20 0 HCADMM NC(=O)[C@H](CO)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000672167157 1080477259 /nfs/dbraw/zinc/47/72/59/1080477259.db2.gz AMELFVONGKBWTF-AWEZNQCLSA-N -1 1 415.830 0.856 20 0 HCADMM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N[C@@H](CO)C(N)=O)cc2)cc1 ZINC000672167194 1080472168 /nfs/dbraw/zinc/47/21/68/1080472168.db2.gz LFEPUZCYAWEDPQ-INIZCTEOSA-N -1 1 405.432 0.266 20 0 HCADMM COc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c(F)c1 ZINC000672422934 1080599753 /nfs/dbraw/zinc/59/97/53/1080599753.db2.gz GSYJQTHAXLWCTM-SNVBAGLBSA-N -1 1 413.468 0.523 20 0 HCADMM CNC(=O)CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000672804957 1080785524 /nfs/dbraw/zinc/78/55/24/1080785524.db2.gz GUQYZQQDCDNBEB-UHFFFAOYSA-N -1 1 417.447 0.887 20 0 HCADMM CC1(C)CN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CCN1CCO ZINC000672880761 1080806454 /nfs/dbraw/zinc/80/64/54/1080806454.db2.gz RPRUDEQMQRVTRR-UHFFFAOYSA-N -1 1 409.505 0.274 20 0 HCADMM CS(=O)(=O)N1CCN(c2ccc(NC(=O)C(=O)c3ccc([O-])cc3)cn2)CC1 ZINC000672887987 1080812645 /nfs/dbraw/zinc/81/26/45/1080812645.db2.gz HFXKLZAICSZCAS-UHFFFAOYSA-N -1 1 404.448 0.690 20 0 HCADMM O=C([N-]c1nncn1-c1cccnc1)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC000673388770 1081043347 /nfs/dbraw/zinc/04/33/47/1081043347.db2.gz RCCKSLNUDDVWEQ-UHFFFAOYSA-N -1 1 404.408 0.529 20 0 HCADMM C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000673440777 1081108346 /nfs/dbraw/zinc/10/83/46/1081108346.db2.gz FLWYMGGYTAEPOT-APPDUMDISA-N -1 1 407.427 0.097 20 0 HCADMM C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000673440778 1081108107 /nfs/dbraw/zinc/10/81/07/1081108107.db2.gz FLWYMGGYTAEPOT-DIFFPNOSSA-N -1 1 407.427 0.097 20 0 HCADMM C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000673440779 1081108199 /nfs/dbraw/zinc/10/81/99/1081108199.db2.gz FLWYMGGYTAEPOT-GTNSWQLSSA-N -1 1 407.427 0.097 20 0 HCADMM C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000673440780 1081108300 /nfs/dbraw/zinc/10/83/00/1081108300.db2.gz FLWYMGGYTAEPOT-PIGZYNQJSA-N -1 1 407.427 0.097 20 0 HCADMM C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000673444990 1081119859 /nfs/dbraw/zinc/11/98/59/1081119859.db2.gz NQUKIZLMTIZZLD-KRWDZBQOSA-N -1 1 407.427 0.097 20 0 HCADMM C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000673444992 1081120081 /nfs/dbraw/zinc/12/00/81/1081120081.db2.gz NQUKIZLMTIZZLD-QGZVFWFLSA-N -1 1 407.427 0.097 20 0 HCADMM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)NC[C@H]2CN3CCN2CCC3)c1 ZINC000673446537 1081122769 /nfs/dbraw/zinc/12/27/69/1081122769.db2.gz DOZMZLZPZUZVKK-HNNXBMFYSA-N -1 1 409.512 0.136 20 0 HCADMM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)NC[C@@H]2CN3CCN2CCC3)c1 ZINC000673446538 1081122299 /nfs/dbraw/zinc/12/22/99/1081122299.db2.gz DOZMZLZPZUZVKK-OAHLLOKOSA-N -1 1 409.512 0.136 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H](CC(N)=O)C2)c(OC)c1 ZINC000673578494 1081314382 /nfs/dbraw/zinc/31/43/82/1081314382.db2.gz UORWSDFDIHBPET-GFCCVEGCSA-N -1 1 419.525 0.733 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H](CC(N)=O)C2)c(OC)c1 ZINC000673578495 1081314303 /nfs/dbraw/zinc/31/43/03/1081314303.db2.gz UORWSDFDIHBPET-LBPRGKRZSA-N -1 1 419.525 0.733 20 0 HCADMM COc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)cc1OC ZINC000673630672 1081377115 /nfs/dbraw/zinc/37/71/15/1081377115.db2.gz OEUNHLDWAKRFLB-UHFFFAOYSA-N -1 1 411.436 0.333 20 0 HCADMM COc1ccc(NC(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)cc1[N-]S(C)(=O)=O ZINC000681406972 1080878742 /nfs/dbraw/zinc/87/87/42/1080878742.db2.gz IPEFLMGPWZHZTH-GFCCVEGCSA-N -1 1 421.497 0.080 20 0 HCADMM COc1ccc(NC(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)cc1[N-]S(C)(=O)=O ZINC000681406973 1080878847 /nfs/dbraw/zinc/87/88/47/1080878847.db2.gz IPEFLMGPWZHZTH-LBPRGKRZSA-N -1 1 421.497 0.080 20 0 HCADMM CO[C@]1(C(F)(F)F)CCCN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C1 ZINC000682021296 1080891167 /nfs/dbraw/zinc/89/11/67/1080891167.db2.gz QCQCVYZHHAXXGU-CYBMUJFWSA-N -1 1 413.374 0.227 20 0 HCADMM CO[C@@]1(C(F)(F)F)CCCN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C1 ZINC000682021298 1080891198 /nfs/dbraw/zinc/89/11/98/1080891198.db2.gz QCQCVYZHHAXXGU-ZDUSSCGKSA-N -1 1 413.374 0.227 20 0 HCADMM O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732090918 1077880495 /nfs/dbraw/zinc/88/04/95/1077880495.db2.gz QGGHWSRYCGDDIM-OAHLLOKOSA-N -1 1 406.468 0.201 20 0 HCADMM COC(=O)c1c(C)[n-]nc1S(=O)(=O)Oc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000750956633 1079390874 /nfs/dbraw/zinc/39/08/74/1079390874.db2.gz QPRHGQBVDHGJIX-UHFFFAOYSA-N -1 1 412.376 0.846 20 0 HCADMM CN(C)CC(=O)N1CCN(S(=O)(=O)c2cc(Cl)c(F)c(C(=O)[O-])c2)CC1 ZINC000761248254 1073400536 /nfs/dbraw/zinc/40/05/36/1073400536.db2.gz HKVMKBKORMBNEA-UHFFFAOYSA-N -1 1 407.851 0.572 20 0 HCADMM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2CCN(C(=O)CN(C)C)CC2)c1Cl ZINC000761249234 1073409379 /nfs/dbraw/zinc/40/93/79/1073409379.db2.gz LATKJFMCIQCWLZ-UHFFFAOYSA-N -1 1 403.888 0.741 20 0 HCADMM CN(C)CC(=O)N1CCN(S(=O)(=O)c2cc(F)c(Cl)c(C(=O)[O-])c2)CC1 ZINC000761249972 1073408614 /nfs/dbraw/zinc/40/86/14/1073408614.db2.gz QGIBWTQBZYLCGL-UHFFFAOYSA-N -1 1 407.851 0.572 20 0 HCADMM Cc1cc(S(=O)(=O)N2CCN(C(=O)CN(C)C)CC2)cc(C(=O)[O-])c1Cl ZINC000761250244 1073409226 /nfs/dbraw/zinc/40/92/26/1073409226.db2.gz QTUVRZNKSYBXQQ-UHFFFAOYSA-N -1 1 403.888 0.741 20 0 HCADMM CN(C)CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)CC1 ZINC000761250281 1073409153 /nfs/dbraw/zinc/40/91/53/1073409153.db2.gz QXBNBYLKFZODQD-UHFFFAOYSA-N -1 1 407.851 0.572 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(CC)CC(=O)NC)c(OC)c1 ZINC000761250810 1073410159 /nfs/dbraw/zinc/41/01/59/1073410159.db2.gz FRUZBVKRQBFQDY-UHFFFAOYSA-N -1 1 407.514 0.604 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC(=O)NC2CC2)c(OC)c1 ZINC000761251379 1073410957 /nfs/dbraw/zinc/41/09/57/1073410957.db2.gz TYRYGXWKAYNMGM-UHFFFAOYSA-N -1 1 405.498 0.404 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCS(C)(=O)=O)c(OC)c1 ZINC000761252220 1073413196 /nfs/dbraw/zinc/41/31/96/1073413196.db2.gz UPYBSLCEIQBSAB-UHFFFAOYSA-N -1 1 414.527 0.170 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC(=O)N(CC)CC)c(OC)c1 ZINC000761261124 1073416357 /nfs/dbraw/zinc/41/63/57/1073416357.db2.gz MMBWRPNXYBUXHW-UHFFFAOYSA-N -1 1 421.541 0.994 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NN=c2nccc[nH]2)c(OC)c1 ZINC000761270956 1073439193 /nfs/dbraw/zinc/43/91/93/1073439193.db2.gz MMRNBEBUTCAIOA-UHFFFAOYSA-N -1 1 401.470 0.942 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC3(C2)OCCO3)c(OC)c1 ZINC000761271610 1073442472 /nfs/dbraw/zinc/44/24/72/1073442472.db2.gz NHGNVGWYUZVMRD-UHFFFAOYSA-N -1 1 420.509 0.984 20 0 HCADMM CCS(=O)(=O)Nc1ccc(S(=O)(=O)NN=c2nc(OC)cc[n-]2)c(OC)c1 ZINC000761272794 1073445037 /nfs/dbraw/zinc/44/50/37/1073445037.db2.gz XESPCTATRYLJPG-UHFFFAOYSA-N -1 1 417.469 0.561 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC[S@](=O)CC)c(OC)c1 ZINC000761274636 1073450283 /nfs/dbraw/zinc/45/02/83/1073450283.db2.gz UEMLAOYBBXOLSM-HSZRJFAPSA-N -1 1 412.555 0.894 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC[S@@](=O)CC)c(OC)c1 ZINC000761274637 1073449883 /nfs/dbraw/zinc/44/98/83/1073449883.db2.gz UEMLAOYBBXOLSM-QHCPKHFHSA-N -1 1 412.555 0.894 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC2(C(N)=O)CCCC2)c(OC)c1 ZINC000761276345 1073466148 /nfs/dbraw/zinc/46/61/48/1073466148.db2.gz WEKRESYXSYSONI-UHFFFAOYSA-N -1 1 419.525 0.923 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCCNC(=O)C2)c(OC)c1 ZINC000761280001 1073469940 /nfs/dbraw/zinc/46/99/40/1073469940.db2.gz GMTWVYVOVPURDQ-UHFFFAOYSA-N -1 1 405.498 0.358 20 0 HCADMM O=C([O-])COc1ccc(S(=O)(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1Cl ZINC000761290885 1073501172 /nfs/dbraw/zinc/50/11/72/1073501172.db2.gz DCKXROMWUGLOMZ-NEPJUHHUSA-N -1 1 404.872 0.945 20 0 HCADMM O=C([O-])COc1ccc(S(=O)(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1Cl ZINC000761290887 1073501825 /nfs/dbraw/zinc/50/18/25/1073501825.db2.gz DCKXROMWUGLOMZ-NWDGAFQWSA-N -1 1 404.872 0.945 20 0 HCADMM O=C([O-])COc1ccc(S(=O)(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1Cl ZINC000761290889 1073501696 /nfs/dbraw/zinc/50/16/96/1073501696.db2.gz DCKXROMWUGLOMZ-RYUDHWBXSA-N -1 1 404.872 0.945 20 0 HCADMM O=C([O-])COc1ccc(S(=O)(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1Cl ZINC000761290891 1073500991 /nfs/dbraw/zinc/50/09/91/1073500991.db2.gz DCKXROMWUGLOMZ-VXGBXAGGSA-N -1 1 404.872 0.945 20 0 HCADMM CC[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000761295822 1073510556 /nfs/dbraw/zinc/51/05/56/1073510556.db2.gz UINDBOUQWFRXHT-MSOLQXFVSA-N -1 1 400.479 0.723 20 0 HCADMM CC[C@@H](NC(=O)CCn1cc[n-]c(=O)c1=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000761295832 1073510362 /nfs/dbraw/zinc/51/03/62/1073510362.db2.gz UINDBOUQWFRXHT-QZTJIDSGSA-N -1 1 400.479 0.723 20 0 HCADMM CC[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000761295837 1073510204 /nfs/dbraw/zinc/51/02/04/1073510204.db2.gz UINDBOUQWFRXHT-ROUUACIJSA-N -1 1 400.479 0.723 20 0 HCADMM CC[C@H](NC(=O)CCn1cc[n-]c(=O)c1=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000761295840 1073510139 /nfs/dbraw/zinc/51/01/39/1073510139.db2.gz UINDBOUQWFRXHT-ZWKOTPCHSA-N -1 1 400.479 0.723 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC2CN(C(=O)OC)C2)c(OC)c1 ZINC000761311230 1073518663 /nfs/dbraw/zinc/51/86/63/1073518663.db2.gz NUXQLWVUXNDGMM-UHFFFAOYSA-N -1 1 421.497 0.576 20 0 HCADMM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@H]1CCCN(Cc2ccccc2)C1=O ZINC000761334388 1073596446 /nfs/dbraw/zinc/59/64/46/1073596446.db2.gz BCQZUVQZXZDPOI-AWEZNQCLSA-N -1 1 406.464 0.974 20 0 HCADMM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000761334390 1073596282 /nfs/dbraw/zinc/59/62/82/1073596282.db2.gz BCQZUVQZXZDPOI-CQSZACIVSA-N -1 1 406.464 0.974 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)o1 ZINC000761344044 1073627250 /nfs/dbraw/zinc/62/72/50/1073627250.db2.gz UJRVONWPCKQETD-AAEUAGOBSA-N -1 1 417.484 0.942 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)o1 ZINC000761344045 1073627555 /nfs/dbraw/zinc/62/75/55/1073627555.db2.gz UJRVONWPCKQETD-DGCLKSJQSA-N -1 1 417.484 0.942 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)o1 ZINC000761344046 1073627590 /nfs/dbraw/zinc/62/75/90/1073627590.db2.gz UJRVONWPCKQETD-WCQYABFASA-N -1 1 417.484 0.942 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)o1 ZINC000761344047 1073627345 /nfs/dbraw/zinc/62/73/45/1073627345.db2.gz UJRVONWPCKQETD-YPMHNXCESA-N -1 1 417.484 0.942 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(-c2nc(CN3C(=O)c4ccccc4S3(=O)=O)no2)o1 ZINC000761358220 1073688613 /nfs/dbraw/zinc/68/86/13/1073688613.db2.gz NZHYGQSCDHNXEN-UHFFFAOYSA-N -1 1 424.416 0.582 20 0 HCADMM C[N-]S(=O)(=O)c1cc(-c2nc(CN3C(=O)c4ccccc4S3(=O)=O)no2)co1 ZINC000761368944 1073857513 /nfs/dbraw/zinc/85/75/13/1073857513.db2.gz RDDGYMHQICVRFO-UHFFFAOYSA-N -1 1 424.416 0.582 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(-c2nc(C[C@@](O)(c3nccn3C)C(F)(F)F)no2)o1 ZINC000761434213 1075683510 /nfs/dbraw/zinc/68/35/10/1075683510.db2.gz BJUGCGQQSVHZAR-CYBMUJFWSA-N -1 1 421.357 0.964 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(-c2nc(C[C@](O)(c3nccn3C)C(F)(F)F)no2)o1 ZINC000761434214 1075683507 /nfs/dbraw/zinc/68/35/07/1075683507.db2.gz BJUGCGQQSVHZAR-ZDUSSCGKSA-N -1 1 421.357 0.964 20 0 HCADMM C[N-]S(=O)(=O)c1cc(-c2nc(C[C@@](O)(c3nccn3C)C(F)(F)F)no2)co1 ZINC000761440504 1075785908 /nfs/dbraw/zinc/78/59/08/1075785908.db2.gz FXMBAFHEPKNKDB-CYBMUJFWSA-N -1 1 421.357 0.964 20 0 HCADMM C[N-]S(=O)(=O)c1cc(-c2nc(C[C@](O)(c3nccn3C)C(F)(F)F)no2)co1 ZINC000761440509 1075785888 /nfs/dbraw/zinc/78/58/88/1075785888.db2.gz FXMBAFHEPKNKDB-ZDUSSCGKSA-N -1 1 421.357 0.964 20 0 HCADMM O=C(Nc1ccc([O-])c(C(=O)NCCN2C(=O)CNC2=O)c1)OCC(F)(F)F ZINC000761728282 1077640840 /nfs/dbraw/zinc/64/08/40/1077640840.db2.gz QQGSEZQQFYPHRT-UHFFFAOYSA-N -1 1 404.301 0.785 20 0 HCADMM COCc1nc(S(=O)(=O)Cc2nnnn2-c2ccc(OC(F)F)cc2)n[n-]1 ZINC000761836260 1077748287 /nfs/dbraw/zinc/74/82/87/1077748287.db2.gz QHQOJNUKFDLSIP-UHFFFAOYSA-N -1 1 401.355 0.502 20 0 HCADMM COCc1nnc(S(=O)(=O)Cc2nnnn2-c2ccc(OC(F)F)cc2)[n-]1 ZINC000761836260 1077748279 /nfs/dbraw/zinc/74/82/79/1077748279.db2.gz QHQOJNUKFDLSIP-UHFFFAOYSA-N -1 1 401.355 0.502 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H](O)c2ccc(Cl)cc2)o1 ZINC000761915940 1077778224 /nfs/dbraw/zinc/77/82/24/1077778224.db2.gz XMBXLAVUCOYVQA-LLVKDONJSA-N -1 1 401.828 0.160 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H](O)c2ccc(Cl)cc2)o1 ZINC000761915944 1077778361 /nfs/dbraw/zinc/77/83/61/1077778361.db2.gz XMBXLAVUCOYVQA-NSHDSACASA-N -1 1 401.828 0.160 20 0 HCADMM Cc1nccn1-c1ccc(-c2noc(C[N-]S(=O)(=O)c3cnn(C)c3)n2)cn1 ZINC000761924765 1077779243 /nfs/dbraw/zinc/77/92/43/1077779243.db2.gz SIRPBMSLVMAUFH-UHFFFAOYSA-N -1 1 400.424 0.838 20 0 HCADMM CCN1CCN(c2ccc(-c3noc(Cn4[n-]cc5c(=O)ncnc4-5)n3)cn2)CC1 ZINC000761941287 1077783081 /nfs/dbraw/zinc/78/30/81/1077783081.db2.gz SPRZEPRKCSJCOC-UHFFFAOYSA-N -1 1 407.438 0.706 20 0 HCADMM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)CCS(C)(=O)=O)c(Br)o1 ZINC000761956332 1077784205 /nfs/dbraw/zinc/78/42/05/1077784205.db2.gz OFMDVIZKKNKIAH-SSDOTTSWSA-N -1 1 418.287 0.930 20 0 HCADMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)CCS(C)(=O)=O)c(Br)o1 ZINC000761956334 1077782963 /nfs/dbraw/zinc/78/29/63/1077782963.db2.gz OFMDVIZKKNKIAH-ZETCQYMHSA-N -1 1 418.287 0.930 20 0 HCADMM CS(=O)(=O)CCn1cccc([N-]S(=O)(=O)c2cnc(Cl)c(F)c2)c1=O ZINC000761970040 1077788339 /nfs/dbraw/zinc/78/83/39/1077788339.db2.gz MPFZGYOIJSBTLQ-UHFFFAOYSA-N -1 1 409.848 0.881 20 0 HCADMM CC1(C)C[C@@H]([N-]C(=O)C(F)(F)C(F)(F)C(=O)N[C@@H]2CC(C)(C)OC2=O)C(=O)O1 ZINC000762045220 1077808748 /nfs/dbraw/zinc/80/87/48/1077808748.db2.gz PBLYMTOKSLZVGL-HTQZYQBOSA-N -1 1 412.336 0.678 20 0 HCADMM CC1(C)C[C@H]([N-]C(=O)C(F)(F)C(F)(F)C(=O)N[C@H]2CC(C)(C)OC2=O)C(=O)O1 ZINC000762045222 1077808971 /nfs/dbraw/zinc/80/89/71/1077808971.db2.gz PBLYMTOKSLZVGL-YUMQZZPRSA-N -1 1 412.336 0.678 20 0 HCADMM CC1CCN(CC(=O)NCCN=c2ncnc3n(C)[n-]c(Br)c2-3)CC1 ZINC000762199727 1077826251 /nfs/dbraw/zinc/82/62/51/1077826251.db2.gz DPBJSLXVOPSDPD-UHFFFAOYSA-N -1 1 410.320 0.759 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H](O)c2cc3ccccc3s2)o1 ZINC000762262264 1077833927 /nfs/dbraw/zinc/83/39/27/1077833927.db2.gz YUHVETHZUQIAIN-LLVKDONJSA-N -1 1 423.472 0.721 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H](O)c2cc3ccccc3s2)o1 ZINC000762262265 1077834087 /nfs/dbraw/zinc/83/40/87/1077834087.db2.gz YUHVETHZUQIAIN-NSHDSACASA-N -1 1 423.472 0.721 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H](O)c2ccc3ccccc3c2)o1 ZINC000762281355 1077835889 /nfs/dbraw/zinc/83/58/89/1077835889.db2.gz YCYHBPOWFBPINO-HNNXBMFYSA-N -1 1 417.443 0.660 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H](O)c2ccc3ccccc3c2)o1 ZINC000762281358 1077835901 /nfs/dbraw/zinc/83/59/01/1077835901.db2.gz YCYHBPOWFBPINO-OAHLLOKOSA-N -1 1 417.443 0.660 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H](O)c2ccccc2Cl)o1 ZINC000762291977 1077837502 /nfs/dbraw/zinc/83/75/02/1077837502.db2.gz JNJZKSKQVCPEIC-LLVKDONJSA-N -1 1 401.828 0.160 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H](O)c2ccccc2Cl)o1 ZINC000762291978 1077837482 /nfs/dbraw/zinc/83/74/82/1077837482.db2.gz JNJZKSKQVCPEIC-NSHDSACASA-N -1 1 401.828 0.160 20 0 HCADMM C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000762316428 1077839372 /nfs/dbraw/zinc/83/93/72/1077839372.db2.gz LFGGUGMSJKIMEW-NEPJUHHUSA-N -1 1 416.500 0.008 20 0 HCADMM C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000762316432 1077839480 /nfs/dbraw/zinc/83/94/80/1077839480.db2.gz LFGGUGMSJKIMEW-NWDGAFQWSA-N -1 1 416.500 0.008 20 0 HCADMM C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000762316435 1077839512 /nfs/dbraw/zinc/83/95/12/1077839512.db2.gz LFGGUGMSJKIMEW-RYUDHWBXSA-N -1 1 416.500 0.008 20 0 HCADMM C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000762316438 1077839491 /nfs/dbraw/zinc/83/94/91/1077839491.db2.gz LFGGUGMSJKIMEW-VXGBXAGGSA-N -1 1 416.500 0.008 20 0 HCADMM CC(C)(C)c1ccc([C@@H](O)CNC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)cc1 ZINC000762451891 1077851473 /nfs/dbraw/zinc/85/14/73/1077851473.db2.gz VBINTOMUPDKZLM-AWEZNQCLSA-N -1 1 423.491 0.804 20 0 HCADMM CC(C)(C)c1ccc([C@H](O)CNC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)cc1 ZINC000762451893 1077851660 /nfs/dbraw/zinc/85/16/60/1077851660.db2.gz VBINTOMUPDKZLM-CQSZACIVSA-N -1 1 423.491 0.804 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H](O)c2c(F)cccc2Cl)o1 ZINC000762504018 1077855517 /nfs/dbraw/zinc/85/55/17/1077855517.db2.gz VHCOGQUWVQDWFN-JTQLQIEISA-N -1 1 419.818 0.299 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H](O)c2c(F)cccc2Cl)o1 ZINC000762504020 1077855527 /nfs/dbraw/zinc/85/55/27/1077855527.db2.gz VHCOGQUWVQDWFN-SNVBAGLBSA-N -1 1 419.818 0.299 20 0 HCADMM COCCn1c(=O)cc([O-])nc1SCC(=O)NCCOc1ccc2c(c1)OCO2 ZINC000762653462 1077877301 /nfs/dbraw/zinc/87/73/01/1077877301.db2.gz DZQMUJUJODLNAR-UHFFFAOYSA-N -1 1 423.447 0.611 20 0 HCADMM O=C(CS(=O)(=O)c1n[n-]c(C2CC2)n1)NCc1ccc(N2CCCC2=O)cc1 ZINC000762685571 1077882769 /nfs/dbraw/zinc/88/27/69/1077882769.db2.gz LFPHZKSDILYHDI-UHFFFAOYSA-N -1 1 403.464 0.899 20 0 HCADMM COCc1nc(S(=O)(=O)CC(=O)NCc2ccc(N3CCCC3=O)cc2)n[n-]1 ZINC000762689676 1077883467 /nfs/dbraw/zinc/88/34/67/1077883467.db2.gz CSMZHQGDCXPHDS-UHFFFAOYSA-N -1 1 407.452 0.168 20 0 HCADMM COCc1nnc(S(=O)(=O)CC(=O)NCc2ccc(N3CCCC3=O)cc2)[n-]1 ZINC000762689676 1077883464 /nfs/dbraw/zinc/88/34/64/1077883464.db2.gz CSMZHQGDCXPHDS-UHFFFAOYSA-N -1 1 407.452 0.168 20 0 HCADMM CCN=c1nc2[n-]nc(SCC(=O)NCCN3CC=C(C)CC3)n2c(NCC)n1 ZINC000762701768 1077885577 /nfs/dbraw/zinc/88/55/77/1077885577.db2.gz QZYXYJRGVLIZAV-UHFFFAOYSA-N -1 1 419.559 0.665 20 0 HCADMM CC(=O)c1ccc([O-])c(CCOC(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)c1 ZINC000762914983 1077912781 /nfs/dbraw/zinc/91/27/81/1077912781.db2.gz ICQAJZDQZSFUDY-UHFFFAOYSA-N -1 1 409.420 0.086 20 0 HCADMM CC(=O)[N-]S(=O)(=O)c1ccc(NS(=O)(=O)c2cccc3c2COC3=O)cc1 ZINC000763084443 1078003696 /nfs/dbraw/zinc/00/36/96/1078003696.db2.gz BMNIMQIIDPXDJL-UHFFFAOYSA-N -1 1 410.429 0.983 20 0 HCADMM CCNc1ccc(S(=O)(=O)C(F)F)cc1NC(=O)CCn1cc[n-]c(=O)c1=O ZINC000763084842 1078003719 /nfs/dbraw/zinc/00/37/19/1078003719.db2.gz CFLVIFLZNRLXHW-UHFFFAOYSA-N -1 1 416.406 0.994 20 0 HCADMM COC(=O)c1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]C(C)=O)cc2)c[nH]1 ZINC000763086103 1078003289 /nfs/dbraw/zinc/00/32/89/1078003289.db2.gz JWQIEJLGCMSGSC-UHFFFAOYSA-N -1 1 401.422 0.427 20 0 HCADMM CC(=O)[N-]S(=O)(=O)c1ccc(NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)cc1 ZINC000763087504 1078003925 /nfs/dbraw/zinc/00/39/25/1078003925.db2.gz STHSKHHSCBOWOM-UHFFFAOYSA-N -1 1 423.476 0.902 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)o1 ZINC000763181159 1078025193 /nfs/dbraw/zinc/02/51/93/1078025193.db2.gz HRQOLWUQRBVRMI-DFAYQTQMSA-N -1 1 405.523 0.153 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[C@@H]3SCCS[C@@H]23)o1 ZINC000763181167 1078025130 /nfs/dbraw/zinc/02/51/30/1078025130.db2.gz HRQOLWUQRBVRMI-DVYJOKAKSA-N -1 1 405.523 0.153 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[C@H]3SCCS[C@@H]23)o1 ZINC000763181169 1078025317 /nfs/dbraw/zinc/02/53/17/1078025317.db2.gz HRQOLWUQRBVRMI-JQEORGNBSA-N -1 1 405.523 0.153 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[C@H]3SCCS[C@H]23)o1 ZINC000763181171 1078025394 /nfs/dbraw/zinc/02/53/94/1078025394.db2.gz HRQOLWUQRBVRMI-ZDSQKVDBSA-N -1 1 405.523 0.153 20 0 HCADMM CCN=c1nc2[n-]nc(SCC(=O)N[C@H](C)c3n[nH]c(CC)n3)n2c(NCC)n1 ZINC000763191628 1078027457 /nfs/dbraw/zinc/02/74/57/1078027457.db2.gz DGEVLVWGDSBQAI-SECBINFHSA-N -1 1 419.519 0.455 20 0 HCADMM CCN=c1nc2[n-]nc(SCC(=O)N[C@@H](C)c3n[nH]c(CC)n3)n2c(NCC)n1 ZINC000763191629 1078027563 /nfs/dbraw/zinc/02/75/63/1078027563.db2.gz DGEVLVWGDSBQAI-VIFPVBQESA-N -1 1 419.519 0.455 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H](O)c2ccc(Cl)c(F)c2)o1 ZINC000763208512 1078032555 /nfs/dbraw/zinc/03/25/55/1078032555.db2.gz JTKAZXVXEJSNOQ-LLVKDONJSA-N -1 1 419.818 0.299 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H](O)c2ccc(Cl)c(F)c2)o1 ZINC000763208514 1078032461 /nfs/dbraw/zinc/03/24/61/1078032461.db2.gz JTKAZXVXEJSNOQ-NSHDSACASA-N -1 1 419.818 0.299 20 0 HCADMM CCCCCCn1cc(S(=O)(=O)[N-][C@@H]2C[C@H](OCC)[C@H]2OC)c(=O)[nH]c1=O ZINC000763213270 1078033789 /nfs/dbraw/zinc/03/37/89/1078033789.db2.gz FZEWTLOZOLXXAW-IPYPFGDCSA-N -1 1 403.501 1.000 20 0 HCADMM CCCCCCn1cc(S(=O)(=O)[N-][C@@H]2C[C@@H](OCC)[C@H]2OC)c(=O)[nH]c1=O ZINC000763213272 1078033887 /nfs/dbraw/zinc/03/38/87/1078033887.db2.gz FZEWTLOZOLXXAW-NFAWXSAZSA-N -1 1 403.501 1.000 20 0 HCADMM CCCCCCn1cc(S(=O)(=O)[N-][C@@H]2C[C@@H](OCC)[C@@H]2OC)c(=O)[nH]c1=O ZINC000763213274 1078033820 /nfs/dbraw/zinc/03/38/20/1078033820.db2.gz FZEWTLOZOLXXAW-UMVBOHGHSA-N -1 1 403.501 1.000 20 0 HCADMM CCCCCCn1cc(S(=O)(=O)[N-][C@@H]2C[C@H](OCC)[C@@H]2OC)c(=O)[nH]c1=O ZINC000763213276 1078033876 /nfs/dbraw/zinc/03/38/76/1078033876.db2.gz FZEWTLOZOLXXAW-VNHYZAJKSA-N -1 1 403.501 1.000 20 0 HCADMM O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-])C(F)(F)C1(O)CCC1 ZINC000763272024 1078047238 /nfs/dbraw/zinc/04/72/38/1078047238.db2.gz BLSGFEZEMQWSLX-UHFFFAOYSA-N -1 1 406.407 0.902 20 0 HCADMM O=C1CNC(=O)N1c1cccc([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)c1 ZINC000763281235 1078048426 /nfs/dbraw/zinc/04/84/26/1078048426.db2.gz LQCKWFITMGARMN-UHFFFAOYSA-N -1 1 421.456 0.873 20 0 HCADMM COc1cc(S(N)(=O)=O)ccc1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000763290143 1078048907 /nfs/dbraw/zinc/04/89/07/1078048907.db2.gz GZLWRYFEJQURRR-UHFFFAOYSA-N -1 1 404.397 0.981 20 0 HCADMM CCc1ncc(S(=O)(=O)[N-]N=c2ccc(S(=O)(=O)NC3CC3)c[nH]2)s1 ZINC000763375118 1078087559 /nfs/dbraw/zinc/08/75/59/1078087559.db2.gz XRNXBYJLOJJSGT-UHFFFAOYSA-N -1 1 403.511 0.847 20 0 HCADMM CN(CC(C)(C)S(C)(=O)=O)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000763417598 1078124820 /nfs/dbraw/zinc/12/48/20/1078124820.db2.gz WCRAPWLRGWFQFJ-UHFFFAOYSA-N -1 1 416.518 0.641 20 0 HCADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCN3C(=O)OCC[C@@H]3C2)c(F)c1 ZINC000763417611 1078124797 /nfs/dbraw/zinc/12/47/97/1078124797.db2.gz NZSGXLCMRDDRDL-LLVKDONJSA-N -1 1 407.445 0.412 20 0 HCADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCN3C(=O)OCC[C@H]3C2)c(F)c1 ZINC000763417613 1078124527 /nfs/dbraw/zinc/12/45/27/1078124527.db2.gz NZSGXLCMRDDRDL-NSHDSACASA-N -1 1 407.445 0.412 20 0 HCADMM CCCCCCn1cc(S(=O)(=O)[N-][C@@H](CCO)C2CCOCC2)c(=O)[nH]c1=O ZINC000763612281 1078982526 /nfs/dbraw/zinc/98/25/26/1078982526.db2.gz FZEYUNLEQZYFMM-HNNXBMFYSA-N -1 1 417.528 0.985 20 0 HCADMM CCCCCCn1cc(S(=O)(=O)[N-][C@H](CCO)C2CCOCC2)c(=O)[nH]c1=O ZINC000763612282 1078982757 /nfs/dbraw/zinc/98/27/57/1078982757.db2.gz FZEYUNLEQZYFMM-OAHLLOKOSA-N -1 1 417.528 0.985 20 0 HCADMM CNC(=O)[C@@H](O)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000763697762 1079081972 /nfs/dbraw/zinc/08/19/72/1079081972.db2.gz OUTOPSLURGGFID-KRWDZBQOSA-N -1 1 405.476 0.941 20 0 HCADMM CNC(=O)[C@H](O)CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000763697766 1079081915 /nfs/dbraw/zinc/08/19/15/1079081915.db2.gz OUTOPSLURGGFID-QGZVFWFLSA-N -1 1 405.476 0.941 20 0 HCADMM CNC(=O)[C@@H](O)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000763698700 1079082340 /nfs/dbraw/zinc/08/23/40/1079082340.db2.gz LXWPZLRKZOSKDX-INIZCTEOSA-N -1 1 409.439 0.772 20 0 HCADMM CNC(=O)[C@H](O)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1C ZINC000763698709 1079082386 /nfs/dbraw/zinc/08/23/86/1079082386.db2.gz LXWPZLRKZOSKDX-MRXNPFEDSA-N -1 1 409.439 0.772 20 0 HCADMM CNC(=O)[C@@H](O)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000763700947 1079083271 /nfs/dbraw/zinc/08/32/71/1079083271.db2.gz OMKNJFZUTCLFQM-INIZCTEOSA-N -1 1 407.448 0.333 20 0 HCADMM CNC(=O)[C@H](O)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000763700948 1079083319 /nfs/dbraw/zinc/08/33/19/1079083319.db2.gz OMKNJFZUTCLFQM-MRXNPFEDSA-N -1 1 407.448 0.333 20 0 HCADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@H](O)C(=O)NC)cc2)cc1 ZINC000763702364 1079083803 /nfs/dbraw/zinc/08/38/03/1079083803.db2.gz XTYSBVPLFHIJLN-KRWDZBQOSA-N -1 1 421.475 0.723 20 0 HCADMM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@@H](O)C(=O)NC)cc2)cc1 ZINC000763702366 1079083740 /nfs/dbraw/zinc/08/37/40/1079083740.db2.gz XTYSBVPLFHIJLN-QGZVFWFLSA-N -1 1 421.475 0.723 20 0 HCADMM CNC(=O)[C@@H](O)CNC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000763712251 1079088251 /nfs/dbraw/zinc/08/82/51/1079088251.db2.gz UXKUGQOHYTVYTH-INIZCTEOSA-N -1 1 405.476 0.941 20 0 HCADMM CNC(=O)[C@H](O)CNC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000763712252 1079088294 /nfs/dbraw/zinc/08/82/94/1079088294.db2.gz UXKUGQOHYTVYTH-MRXNPFEDSA-N -1 1 405.476 0.941 20 0 HCADMM COCCNS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)c1 ZINC000764031883 1079300049 /nfs/dbraw/zinc/30/00/49/1079300049.db2.gz YEWZWEQVYNWOHF-UHFFFAOYSA-N -1 1 409.420 0.053 20 0 HCADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2cc(S(=O)(=O)NC(C)C)c[nH]2)cc1 ZINC000764036674 1079301843 /nfs/dbraw/zinc/30/18/43/1079301843.db2.gz IKIGVWAXIBCTOK-UHFFFAOYSA-N -1 1 423.447 0.823 20 0 HCADMM COc1ccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)nc1I ZINC000764065027 1079304916 /nfs/dbraw/zinc/30/49/16/1079304916.db2.gz XGNWSYNKTASDRO-UHFFFAOYSA-N -1 1 423.192 0.469 20 0 HCADMM COc1ccc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)nc1I ZINC000764065027 1079304909 /nfs/dbraw/zinc/30/49/09/1079304909.db2.gz XGNWSYNKTASDRO-UHFFFAOYSA-N -1 1 423.192 0.469 20 0 HCADMM CO[C@@H](C)CS(=O)(=O)[N-]C(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2 ZINC000764195804 1079318862 /nfs/dbraw/zinc/31/88/62/1079318862.db2.gz UEUKOTDCRKTEGB-JTQLQIEISA-N -1 1 402.473 0.797 20 0 HCADMM CO[C@H](C)CS(=O)(=O)[N-]C(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2 ZINC000764195807 1079318786 /nfs/dbraw/zinc/31/87/86/1079318786.db2.gz UEUKOTDCRKTEGB-SNVBAGLBSA-N -1 1 402.473 0.797 20 0 HCADMM CCN(CC(=O)NC)Cc1nc(=O)c2c(CC(=O)OC)c(C(=O)OC)sc2[n-]1 ZINC000764202468 1079318119 /nfs/dbraw/zinc/31/81/19/1079318119.db2.gz GRNHVJOXDUPTBM-UHFFFAOYSA-N -1 1 410.452 0.055 20 0 HCADMM CCOC(=O)[C@H]1CCCN(C(=O)CN(C)CC(=O)[N-]C(=O)c2ccc(OC)cc2)C1 ZINC000764224568 1079320301 /nfs/dbraw/zinc/32/03/01/1079320301.db2.gz JFAMWCDWZPZXLA-INIZCTEOSA-N -1 1 419.478 0.685 20 0 HCADMM CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)CC(=O)[N-]C(=O)c2ccc(OC)cc2)C1 ZINC000764224572 1079320425 /nfs/dbraw/zinc/32/04/25/1079320425.db2.gz JFAMWCDWZPZXLA-MRXNPFEDSA-N -1 1 419.478 0.685 20 0 HCADMM CCOC(=O)C1CCN(C(=O)CN(C)CC(=O)[N-]C(=O)c2ccc(OC)cc2)CC1 ZINC000764233994 1079321828 /nfs/dbraw/zinc/32/18/28/1079321828.db2.gz KRBFDOAVGHVGPL-UHFFFAOYSA-N -1 1 419.478 0.685 20 0 HCADMM CCN=c1nc2[n-]nc(SCC(=O)N[C@H]3CCc4[nH]cnc4C3)n2c(NCC)n1 ZINC000764901525 1079381025 /nfs/dbraw/zinc/38/10/25/1079381025.db2.gz RYVCXIYDMBVJCJ-JTQLQIEISA-N -1 1 416.515 0.294 20 0 HCADMM CCN=c1nc2[n-]nc(SCC(=O)N[C@@H]3CCc4[nH]cnc4C3)n2c(NCC)n1 ZINC000764901526 1079381051 /nfs/dbraw/zinc/38/10/51/1079381051.db2.gz RYVCXIYDMBVJCJ-SNVBAGLBSA-N -1 1 416.515 0.294 20 0 HCADMM CN(C)CCNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2cn(C)c(Cl)n2)c1 ZINC000764952936 1079383074 /nfs/dbraw/zinc/38/30/74/1079383074.db2.gz ALWOGDNYANDPRH-UHFFFAOYSA-N -1 1 421.932 0.714 20 0 HCADMM CN(C)CCNS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ncn(C)c2Cl)c1 ZINC000764954553 1079383252 /nfs/dbraw/zinc/38/32/52/1079383252.db2.gz MZDMVZSDDHRIRL-UHFFFAOYSA-N -1 1 421.932 0.714 20 0 HCADMM CCCN(C)S(=O)(=O)NN=c1ccc(S(=O)(=O)[N-]c2ccccn2)c[nH]1 ZINC000765038728 1079386653 /nfs/dbraw/zinc/38/66/53/1079386653.db2.gz OVPUVVYLUFXOTH-UHFFFAOYSA-N -1 1 400.486 0.781 20 0 HCADMM CC(=O)Nc1cc(S(=O)(=O)Nc2cc(S(N)(=O)=O)ccc2F)ccc1[O-] ZINC000765058024 1079388169 /nfs/dbraw/zinc/38/81/69/1079388169.db2.gz VCGMBVUPCHMZKM-UHFFFAOYSA-N -1 1 403.413 0.938 20 0 HCADMM Cn1c(Cl)ncc1S(=O)(=O)[N-]c1cc(C(=O)NCCC(N)=O)ccc1F ZINC000765075620 1079387863 /nfs/dbraw/zinc/38/78/63/1079387863.db2.gz CRJNDHTUAXLAIF-UHFFFAOYSA-N -1 1 403.823 0.619 20 0 HCADMM COCCN1C(=O)c2ccc(C(=O)N3CCC[C@@H](c4nn[n-]n4)C3)cc2S1(=O)=O ZINC000765107943 1079390510 /nfs/dbraw/zinc/39/05/10/1079390510.db2.gz AGUJIGQWVUAWAE-GFCCVEGCSA-N -1 1 420.451 0.010 20 0 HCADMM COCCN1C(=O)c2ccc(C(=O)N3CCC[C@H](c4nn[n-]n4)C3)cc2S1(=O)=O ZINC000765107944 1079390843 /nfs/dbraw/zinc/39/08/43/1079390843.db2.gz AGUJIGQWVUAWAE-LBPRGKRZSA-N -1 1 420.451 0.010 20 0 HCADMM COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)C1=O ZINC000765108646 1079390654 /nfs/dbraw/zinc/39/06/54/1079390654.db2.gz FLHBPTQXVMMFTR-BLVKFPJESA-N -1 1 413.438 0.382 20 0 HCADMM COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N2CCC[C@H](c3nn[n-]n3)C2)C1=O ZINC000765108647 1079390443 /nfs/dbraw/zinc/39/04/43/1079390443.db2.gz FLHBPTQXVMMFTR-BUXKBTBVSA-N -1 1 413.438 0.382 20 0 HCADMM COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)C1=O ZINC000765108648 1079390578 /nfs/dbraw/zinc/39/05/78/1079390578.db2.gz FLHBPTQXVMMFTR-CWTRNNRKSA-N -1 1 413.438 0.382 20 0 HCADMM COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N2CCC[C@H](c3nn[n-]n3)C2)C1=O ZINC000765108649 1079390318 /nfs/dbraw/zinc/39/03/18/1079390318.db2.gz FLHBPTQXVMMFTR-HXPMCKFVSA-N -1 1 413.438 0.382 20 0 HCADMM O=C(CN1CCN(C(=O)OCc2ccccc2)CC1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000765108691 1079390416 /nfs/dbraw/zinc/39/04/16/1079390416.db2.gz GRCXFJHPVZDCFE-KRWDZBQOSA-N -1 1 413.482 0.860 20 0 HCADMM O=C(CN1CCN(C(=O)OCc2ccccc2)CC1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000765108692 1079390343 /nfs/dbraw/zinc/39/03/43/1079390343.db2.gz GRCXFJHPVZDCFE-QGZVFWFLSA-N -1 1 413.482 0.860 20 0 HCADMM O=C(c1ccc(-n2cc(Br)cn2)nn1)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000765108995 1079391137 /nfs/dbraw/zinc/39/11/37/1079391137.db2.gz HCMLGZHJSDOIPB-SECBINFHSA-N -1 1 404.232 0.958 20 0 HCADMM O=C(c1ccc(-n2cc(Br)cn2)nn1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000765108997 1079390953 /nfs/dbraw/zinc/39/09/53/1079390953.db2.gz HCMLGZHJSDOIPB-VIFPVBQESA-N -1 1 404.232 0.958 20 0 HCADMM O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1F)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000765110093 1079391161 /nfs/dbraw/zinc/39/11/61/1079391161.db2.gz QNNKATHQIDVJRW-GFCCVEGCSA-N -1 1 424.458 0.380 20 0 HCADMM O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1F)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000765110094 1079391228 /nfs/dbraw/zinc/39/12/28/1079391228.db2.gz QNNKATHQIDVJRW-LBPRGKRZSA-N -1 1 424.458 0.380 20 0 HCADMM NC(=O)c1ccc(C=CC(=O)N2CCC[C@@H]2C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc1 ZINC000765110127 1079390977 /nfs/dbraw/zinc/39/09/77/1079390977.db2.gz QPEHJGRLIBLHPK-GJWDQICYSA-N -1 1 423.477 0.709 20 0 HCADMM NC(=O)c1ccc(C=CC(=O)N2CCC[C@@H]2C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc1 ZINC000765110128 1079391108 /nfs/dbraw/zinc/39/11/08/1079391108.db2.gz QPEHJGRLIBLHPK-JSMQFAGNSA-N -1 1 423.477 0.709 20 0 HCADMM NC(=O)c1ccc(C=CC(=O)N2CCC[C@@H]2C(=O)N2CCC[C@H](c3nn[n-]n3)C2)cc1 ZINC000765110129 1079390817 /nfs/dbraw/zinc/39/08/17/1079390817.db2.gz QPEHJGRLIBLHPK-NGXUEJOTSA-N -1 1 423.477 0.709 20 0 HCADMM NC(=O)c1ccc(C=CC(=O)N2CCC[C@@H]2C(=O)N2CCC[C@H](c3nn[n-]n3)C2)cc1 ZINC000765110130 1079390773 /nfs/dbraw/zinc/39/07/73/1079390773.db2.gz QPEHJGRLIBLHPK-SQGUUQMOSA-N -1 1 423.477 0.709 20 0 HCADMM O=C(c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000765110141 1079391030 /nfs/dbraw/zinc/39/10/30/1079391030.db2.gz RCOIGUQHNJVWMQ-LLVKDONJSA-N -1 1 402.436 0.526 20 0 HCADMM O=C(c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000765110142 1079391189 /nfs/dbraw/zinc/39/11/89/1079391189.db2.gz RCOIGUQHNJVWMQ-NSHDSACASA-N -1 1 402.436 0.526 20 0 HCADMM O=C(c1ccc2c(c1)SC1=NS(=O)(=O)CCN21)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000765110480 1079390907 /nfs/dbraw/zinc/39/09/07/1079390907.db2.gz UALYUMZHSFYXFA-LLVKDONJSA-N -1 1 419.492 0.831 20 0 HCADMM O=C(c1ccc2c(c1)SC1=NS(=O)(=O)CCN21)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000765110481 1079391079 /nfs/dbraw/zinc/39/10/79/1079391079.db2.gz UALYUMZHSFYXFA-NSHDSACASA-N -1 1 419.492 0.831 20 0 HCADMM CN(CCCC(=O)N1CCC[C@@H](c2nn[n-]n2)C1)C1=NS(=O)(=O)c2ccccc21 ZINC000765111364 1079391005 /nfs/dbraw/zinc/39/10/05/1079391005.db2.gz ZWYAFTCXCNYYHX-CYBMUJFWSA-N -1 1 417.495 0.767 20 0 HCADMM CN(CCCC(=O)N1CCC[C@H](c2nn[n-]n2)C1)C1=NS(=O)(=O)c2ccccc21 ZINC000765111365 1079391391 /nfs/dbraw/zinc/39/13/91/1079391391.db2.gz ZWYAFTCXCNYYHX-ZDUSSCGKSA-N -1 1 417.495 0.767 20 0 HCADMM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]Nc1ccccc1S(C)(=O)=O ZINC000765125843 1079392162 /nfs/dbraw/zinc/39/21/62/1079392162.db2.gz HZOXXXBPEWUPOO-UHFFFAOYSA-N -1 1 402.454 0.604 20 0 HCADMM Cn1cnc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)C(=O)N2CCOCC2)c1Cl ZINC000765184685 1079396898 /nfs/dbraw/zinc/39/68/98/1079396898.db2.gz ZJYCXRWHAIKENA-AWEZNQCLSA-N -1 1 412.899 0.822 20 0 HCADMM Cn1cnc(S(=O)(=O)[N-][C@H](Cc2ccccc2)C(=O)N2CCOCC2)c1Cl ZINC000765184689 1079397049 /nfs/dbraw/zinc/39/70/49/1079397049.db2.gz ZJYCXRWHAIKENA-CQSZACIVSA-N -1 1 412.899 0.822 20 0 HCADMM COC(=O)c1cc(S(=O)(=O)[N-]CCn2ncnn2)c(F)cc1Br ZINC000765209754 1079398386 /nfs/dbraw/zinc/39/83/86/1079398386.db2.gz UVQDYIRKPDHCFD-UHFFFAOYSA-N -1 1 408.209 0.340 20 0 HCADMM COC(=O)c1cc(S(=O)(=O)[N-]C[C@H]2CCCS2(=O)=O)c(Br)o1 ZINC000765222036 1079399598 /nfs/dbraw/zinc/39/95/98/1079399598.db2.gz ROWDAKHSFJEQAJ-SSDOTTSWSA-N -1 1 416.271 0.684 20 0 HCADMM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H]2CCCS2(=O)=O)c(Br)o1 ZINC000765222037 1079399675 /nfs/dbraw/zinc/39/96/75/1079399675.db2.gz ROWDAKHSFJEQAJ-ZETCQYMHSA-N -1 1 416.271 0.684 20 0 HCADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCS(=O)(=O)CC2CC2)c(F)c1 ZINC000765229570 1079402182 /nfs/dbraw/zinc/40/21/82/1079402182.db2.gz IWWXKEBBGYLSLB-UHFFFAOYSA-N -1 1 414.502 0.300 20 0 HCADMM COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000765239871 1079402795 /nfs/dbraw/zinc/40/27/95/1079402795.db2.gz AJFHYDDWSCCOSQ-AWEZNQCLSA-N -1 1 401.448 0.699 20 0 HCADMM CCn1c(=O)c2ccc(C(=O)N[C@@H](Cc3cnc[nH]3)C(=O)OC)cc2[n-]c1=S ZINC000765244040 1079403469 /nfs/dbraw/zinc/40/34/69/1079403469.db2.gz ZQTOFHDWOPXHQD-AWEZNQCLSA-N -1 1 401.448 0.942 20 0 HCADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)Oc2ccc3c(c2)CCCC(=O)N3)o1 ZINC000765331804 1079419100 /nfs/dbraw/zinc/41/91/00/1079419100.db2.gz OEZKNNNNXNVUMM-UHFFFAOYSA-N -1 1 407.404 0.537 20 0 HCADMM CC(C)(C)OC(=O)NCCN(CC(=O)NN1CC(=O)[N-]C1=O)C(=O)OC(C)(C)C ZINC000765372089 1079422866 /nfs/dbraw/zinc/42/28/66/1079422866.db2.gz HICOXXMCDJFLNA-UHFFFAOYSA-N -1 1 415.447 0.331 20 0 HCADMM Cn1cnnc1SCC(=O)Nc1cccc(C(=O)OCc2nc(=O)n(C)[n-]2)c1 ZINC000765375382 1079423638 /nfs/dbraw/zinc/42/36/38/1079423638.db2.gz DZTYHFYLRZAVKU-UHFFFAOYSA-N -1 1 403.424 0.325 20 0 HCADMM C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)OCc3nc(=O)n(C)[n-]3)cc2)C[C@H](C)O1 ZINC000765385287 1079427959 /nfs/dbraw/zinc/42/79/59/1079427959.db2.gz GMMCJZXTODOEHU-RYUDHWBXSA-N -1 1 410.452 0.263 20 0 HCADMM C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)OCc3nc(=O)n(C)[n-]3)cc2)C[C@H](C)O1 ZINC000765385289 1079427662 /nfs/dbraw/zinc/42/76/62/1079427662.db2.gz GMMCJZXTODOEHU-TXEJJXNPSA-N -1 1 410.452 0.263 20 0 HCADMM C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)OCc3nc(=O)n(C)[n-]3)cc2)C[C@@H](C)O1 ZINC000765385292 1079427588 /nfs/dbraw/zinc/42/75/88/1079427588.db2.gz GMMCJZXTODOEHU-VXGBXAGGSA-N -1 1 410.452 0.263 20 0 HCADMM Cn1[n-]c(COC(=O)CCNS(=O)(=O)c2cccc(Br)c2)nc1=O ZINC000765385561 1079427795 /nfs/dbraw/zinc/42/77/95/1079427795.db2.gz BLHIISXSJMLLRP-UHFFFAOYSA-N -1 1 419.257 0.283 20 0 HCADMM COc1ccc(C(=O)OCc2nc(=O)n(C)[n-]2)cc1S(=O)(=O)NC1CCCC1 ZINC000765386473 1079427460 /nfs/dbraw/zinc/42/74/60/1079427460.db2.gz LADBFIJKTJRWOG-UHFFFAOYSA-N -1 1 410.452 0.695 20 0 HCADMM Cn1[n-]c(COC(=O)CNC(=O)c2ccccc2I)nc1=O ZINC000765387818 1079427550 /nfs/dbraw/zinc/42/75/50/1079427550.db2.gz YDYAMIKAQCKFNW-UHFFFAOYSA-N -1 1 416.175 0.186 20 0 HCADMM C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765389187 1079427491 /nfs/dbraw/zinc/42/74/91/1079427491.db2.gz FESPTYFFVORPRD-BDJLRTHQSA-N -1 1 420.447 0.033 20 0 HCADMM C[C@@H](O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765389189 1079427567 /nfs/dbraw/zinc/42/75/67/1079427567.db2.gz FESPTYFFVORPRD-BZNIZROVSA-N -1 1 420.447 0.033 20 0 HCADMM C[C@H](O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765389191 1079427930 /nfs/dbraw/zinc/42/79/30/1079427930.db2.gz FESPTYFFVORPRD-MEDUHNTESA-N -1 1 420.447 0.033 20 0 HCADMM C[C@H](O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765389192 1079427827 /nfs/dbraw/zinc/42/78/27/1079427827.db2.gz FESPTYFFVORPRD-ZBEGNZNMSA-N -1 1 420.447 0.033 20 0 HCADMM Cn1[n-]c(COC(=O)CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)nc1=O ZINC000765389268 1079427880 /nfs/dbraw/zinc/42/78/80/1079427880.db2.gz GSWAOSPUMNQJCD-UHFFFAOYSA-N -1 1 422.385 0.929 20 0 HCADMM Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765391233 1079425759 /nfs/dbraw/zinc/42/57/59/1079425759.db2.gz PVOJWLVJWZIICA-UHFFFAOYSA-N -1 1 406.420 0.845 20 0 HCADMM CCCn1c(CCC(=O)OCc2nc(=O)n(C)[n-]2)nc2cc(S(N)(=O)=O)ccc21 ZINC000765391321 1079425367 /nfs/dbraw/zinc/42/53/67/1079425367.db2.gz XJSJDBMMBJVRMN-UHFFFAOYSA-N -1 1 422.467 0.192 20 0 HCADMM Cn1[n-]c(COC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)nc1=O ZINC000765391792 1079425551 /nfs/dbraw/zinc/42/55/51/1079425551.db2.gz HKQXWFPKBBWTSN-UHFFFAOYSA-N -1 1 402.432 0.944 20 0 HCADMM Cn1[n-]c(COC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)nc1=O ZINC000765392276 1079425894 /nfs/dbraw/zinc/42/58/94/1079425894.db2.gz WTMIBAXVGJMPKR-UHFFFAOYSA-N -1 1 408.480 0.959 20 0 HCADMM C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765392689 1079425823 /nfs/dbraw/zinc/42/58/23/1079425823.db2.gz LKIQOSCKUASCDN-QMMMGPOBSA-N -1 1 408.358 0.537 20 0 HCADMM Cn1[n-]c(COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)nc1=O ZINC000765392776 1079425637 /nfs/dbraw/zinc/42/56/37/1079425637.db2.gz KZLBVTOLHWCELI-UHFFFAOYSA-N -1 1 400.844 0.903 20 0 HCADMM Cn1[n-]c(COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)nc1=O ZINC000765392785 1079425394 /nfs/dbraw/zinc/42/53/94/1079425394.db2.gz LAVPELOYQVTJAP-UHFFFAOYSA-N -1 1 416.843 0.140 20 0 HCADMM COc1ccc(S(=O)(=O)N2CCC(C(=O)OCc3nc(=O)n(C)[n-]3)CC2)cc1 ZINC000765393078 1079425783 /nfs/dbraw/zinc/42/57/83/1079425783.db2.gz UGBRQUJUBZDROH-UHFFFAOYSA-N -1 1 410.452 0.261 20 0 HCADMM CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)OCc2nc(=O)n(C)[n-]2)cc1 ZINC000765393574 1079425938 /nfs/dbraw/zinc/42/59/38/1079425938.db2.gz NPGVCMSXJMQEJD-HNNXBMFYSA-N -1 1 422.463 0.598 20 0 HCADMM CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)OCc2nc(=O)n(C)[n-]2)cc1 ZINC000765393580 1079425861 /nfs/dbraw/zinc/42/58/61/1079425861.db2.gz NPGVCMSXJMQEJD-OAHLLOKOSA-N -1 1 422.463 0.598 20 0 HCADMM Cn1[n-]c(COC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc1=O ZINC000765393945 1079425468 /nfs/dbraw/zinc/42/54/68/1079425468.db2.gz XHRVQVKHPULHJY-UHFFFAOYSA-N -1 1 414.871 0.906 20 0 HCADMM Cn1[n-]c(COC(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)nc1=O ZINC000765394069 1079425426 /nfs/dbraw/zinc/42/54/26/1079425426.db2.gz QXKFXWBPZSABLB-UHFFFAOYSA-N -1 1 410.330 0.029 20 0 HCADMM Cn1[n-]c(COC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc1=O ZINC000765394464 1079426577 /nfs/dbraw/zinc/42/65/77/1079426577.db2.gz SGYVCUXOKCIHHZ-UHFFFAOYSA-N -1 1 405.436 0.013 20 0 HCADMM C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)OCc3nc(=O)n(C)[n-]3)c2)C[C@H](C)O1 ZINC000765398057 1079426522 /nfs/dbraw/zinc/42/65/22/1079426522.db2.gz DMJYRFBNWIFYBN-RYUDHWBXSA-N -1 1 410.452 0.263 20 0 HCADMM C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)OCc3nc(=O)n(C)[n-]3)c2)C[C@H](C)O1 ZINC000765398059 1079426077 /nfs/dbraw/zinc/42/60/77/1079426077.db2.gz DMJYRFBNWIFYBN-TXEJJXNPSA-N -1 1 410.452 0.263 20 0 HCADMM C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)OCc3nc(=O)n(C)[n-]3)c2)C[C@@H](C)O1 ZINC000765398061 1079426024 /nfs/dbraw/zinc/42/60/24/1079426024.db2.gz DMJYRFBNWIFYBN-VXGBXAGGSA-N -1 1 410.452 0.263 20 0 HCADMM Cn1[n-]c(COC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)nc1=O ZINC000765405634 1079430487 /nfs/dbraw/zinc/43/04/87/1079430487.db2.gz QXMLJMYQXFGELQ-UHFFFAOYSA-N -1 1 420.491 0.741 20 0 HCADMM Cn1[n-]c(COC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)nc1=O ZINC000765407371 1079431437 /nfs/dbraw/zinc/43/14/37/1079431437.db2.gz IDSWJIBKIOGNPW-UHFFFAOYSA-N -1 1 419.257 0.283 20 0 HCADMM COc1cc2ncn(CCCC(=O)OCc3nc(=O)n(C)[n-]3)c(=O)c2cc1OC ZINC000765407503 1079431526 /nfs/dbraw/zinc/43/15/26/1079431526.db2.gz CVJQNVVJONRRRT-UHFFFAOYSA-N -1 1 403.395 0.359 20 0 HCADMM Cn1[n-]c(COC(=O)CCCNS(=O)(=O)c2ccc3c(c2)CCCC3)nc1=O ZINC000765407767 1079431479 /nfs/dbraw/zinc/43/14/79/1079431479.db2.gz ADLKVZOMEOBUOQ-UHFFFAOYSA-N -1 1 408.480 0.789 20 0 HCADMM Cn1[n-]c(COC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)nc1=O ZINC000765407903 1079431901 /nfs/dbraw/zinc/43/19/01/1079431901.db2.gz DDRJNEMFSZGAOF-UHFFFAOYSA-N -1 1 400.844 0.903 20 0 HCADMM Cn1[n-]c(COC(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)nc1=O ZINC000765407921 1079431607 /nfs/dbraw/zinc/43/16/07/1079431607.db2.gz CPYJDLLBHCOCDK-UHFFFAOYSA-N -1 1 423.223 0.991 20 0 HCADMM Cn1[n-]c(COC(=O)[C@H]2CCCCN2C2=NS(=O)(=O)c3ccccc32)nc1=O ZINC000765407969 1079431679 /nfs/dbraw/zinc/43/16/79/1079431679.db2.gz CNHCJQYUTZGEEK-GFCCVEGCSA-N -1 1 405.436 0.155 20 0 HCADMM Cn1[n-]c(COC(=O)[C@@H]2CCCCN2C2=NS(=O)(=O)c3ccccc32)nc1=O ZINC000765407971 1079431408 /nfs/dbraw/zinc/43/14/08/1079431408.db2.gz CNHCJQYUTZGEEK-LBPRGKRZSA-N -1 1 405.436 0.155 20 0 HCADMM Cc1cc(C(=O)OCc2nc(=O)n(C)[n-]2)c(C)n1Cc1ccc(S(N)(=O)=O)cc1 ZINC000765408037 1079431715 /nfs/dbraw/zinc/43/17/15/1079431715.db2.gz DIWYUUYYTPLUPZ-UHFFFAOYSA-N -1 1 419.463 0.579 20 0 HCADMM C[C@H](C(=O)OCc1nc(=O)n(C)[n-]1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000765408714 1079431978 /nfs/dbraw/zinc/43/19/78/1079431978.db2.gz JYUARBYFWKCZNX-SSDOTTSWSA-N -1 1 409.196 0.599 20 0 HCADMM C[C@@H](C(=O)OCc1nc(=O)n(C)[n-]1)N1C(=O)c2ccc(Br)cc2C1=O ZINC000765408717 1079431788 /nfs/dbraw/zinc/43/17/88/1079431788.db2.gz JYUARBYFWKCZNX-ZETCQYMHSA-N -1 1 409.196 0.599 20 0 HCADMM COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2nc(=O)n(C)[n-]2)c1 ZINC000765409383 1079428391 /nfs/dbraw/zinc/42/83/91/1079428391.db2.gz KSUVXJJGXTZWOP-UHFFFAOYSA-N -1 1 404.832 0.044 20 0 HCADMM Cn1[n-]c(COC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)nc1=O ZINC000765410209 1079428583 /nfs/dbraw/zinc/42/85/83/1079428583.db2.gz WXQMVRQHLPABQC-UHFFFAOYSA-N -1 1 409.196 0.600 20 0 HCADMM Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCc3nc(=O)n(C)[n-]3)CC2)c(C)c1 ZINC000765410289 1079428951 /nfs/dbraw/zinc/42/89/51/1079428951.db2.gz PWHONSSGHQYVEE-UHFFFAOYSA-N -1 1 408.480 0.869 20 0 HCADMM CCOc1ccc(S(=O)(=O)N2CCC(C(=O)OCc3nc(=O)n(C)[n-]3)CC2)cc1 ZINC000765410919 1079428424 /nfs/dbraw/zinc/42/84/24/1079428424.db2.gz SASPYVYACGSGGM-UHFFFAOYSA-N -1 1 424.479 0.651 20 0 HCADMM Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OCc3nc(=O)n(C)[n-]3)C2)s1 ZINC000765410936 1079428592 /nfs/dbraw/zinc/42/85/92/1079428592.db2.gz SUHQWUNXSVTGLQ-LLVKDONJSA-N -1 1 400.482 0.622 20 0 HCADMM Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OCc3nc(=O)n(C)[n-]3)C2)s1 ZINC000765410937 1079428332 /nfs/dbraw/zinc/42/83/32/1079428332.db2.gz SUHQWUNXSVTGLQ-NSHDSACASA-N -1 1 400.482 0.622 20 0 HCADMM CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)OCc3nc(=O)n(C)[n-]3)CC2)c1 ZINC000765411026 1079428560 /nfs/dbraw/zinc/42/85/60/1079428560.db2.gz WBRIABGLMGTSKJ-UHFFFAOYSA-N -1 1 422.463 0.455 20 0 HCADMM CN(C)S(=O)(=O)c1cc(C(=O)OCc2nc(=O)n(C)[n-]2)ccc1Br ZINC000765411429 1079433066 /nfs/dbraw/zinc/43/30/66/1079433066.db2.gz ZEZFHZWIFPGURR-UHFFFAOYSA-N -1 1 419.257 0.478 20 0 HCADMM Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCc3nc(=O)n(C)[n-]3)CC2)cc1C ZINC000765413059 1079433368 /nfs/dbraw/zinc/43/33/68/1079433368.db2.gz HKTADCRPEHNOGU-UHFFFAOYSA-N -1 1 408.480 0.869 20 0 HCADMM Cn1[n-]c(COC(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)nc1=O ZINC000765415025 1079432478 /nfs/dbraw/zinc/43/24/78/1079432478.db2.gz AVYDXMHRZWNAPF-FMIVXFBMSA-N -1 1 406.464 0.864 20 0 HCADMM Cn1[n-]c(COC(=O)C2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)nc1=O ZINC000765415027 1079432405 /nfs/dbraw/zinc/43/24/05/1079432405.db2.gz AVYDXMHRZWNAPF-XFXZXTDPSA-N -1 1 406.464 0.864 20 0 HCADMM Cn1[n-]c(COC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)nc1=O ZINC000765415236 1079432724 /nfs/dbraw/zinc/43/27/24/1079432724.db2.gz CMXLCZKUMCHVFT-UHFFFAOYSA-N -1 1 416.406 0.531 20 0 HCADMM CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)OCc2nc(=O)n(C)[n-]2)c1 ZINC000765417638 1079433306 /nfs/dbraw/zinc/43/33/06/1079433306.db2.gz QMRQMBGKBYXFMF-UHFFFAOYSA-N -1 1 409.468 0.316 20 0 HCADMM CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)OCc2nc(=O)n(C)[n-]2)c1 ZINC000765418075 1079432525 /nfs/dbraw/zinc/43/25/25/1079432525.db2.gz AVIKDDRVDQPLKU-UHFFFAOYSA-N -1 1 423.495 0.706 20 0 HCADMM Cn1[n-]c(COC(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)nc1=O ZINC000765418453 1079435125 /nfs/dbraw/zinc/43/51/25/1079435125.db2.gz HACIAAPMHUMFMY-UHFFFAOYSA-N -1 1 409.251 0.827 20 0 HCADMM Cn1[n-]c(COC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)nc1=O ZINC000765420104 1079435370 /nfs/dbraw/zinc/43/53/70/1079435370.db2.gz SGEOKVVDTHQMKR-UHFFFAOYSA-N -1 1 416.406 0.531 20 0 HCADMM CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)OCc2nc(=O)n(C)[n-]2)cc1 ZINC000765420787 1079433659 /nfs/dbraw/zinc/43/36/59/1079433659.db2.gz XMBQYMHAYNSOSY-UHFFFAOYSA-N -1 1 410.452 0.455 20 0 HCADMM CCS(=O)(=O)N1CCC(C(=O)OCc2nc(=O)n(C)[n-]2)(c2ccccc2)CC1 ZINC000765422074 1079433984 /nfs/dbraw/zinc/43/39/84/1079433984.db2.gz SCIUAFODTZBOFH-UHFFFAOYSA-N -1 1 408.480 0.535 20 0 HCADMM CCCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765422350 1079434569 /nfs/dbraw/zinc/43/45/69/1079434569.db2.gz VPBINLQIVWIUST-FQEVSTJZSA-N -1 1 413.434 0.931 20 0 HCADMM CCCCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765422352 1079434293 /nfs/dbraw/zinc/43/42/93/1079434293.db2.gz VPBINLQIVWIUST-HXUWFJFHSA-N -1 1 413.434 0.931 20 0 HCADMM CC(C)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765429077 1079436614 /nfs/dbraw/zinc/43/66/14/1079436614.db2.gz ARNVCJZLYWZLBJ-FQEVSTJZSA-N -1 1 413.434 0.787 20 0 HCADMM CC(C)CN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765429078 1079437213 /nfs/dbraw/zinc/43/72/13/1079437213.db2.gz ARNVCJZLYWZLBJ-HXUWFJFHSA-N -1 1 413.434 0.787 20 0 HCADMM Cn1[n-]c(COC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)nc1=O ZINC000765429136 1079436488 /nfs/dbraw/zinc/43/64/88/1079436488.db2.gz CWRAPSNIEGCSCH-UHFFFAOYSA-N -1 1 416.843 0.140 20 0 HCADMM CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765430895 1079437115 /nfs/dbraw/zinc/43/71/15/1079437115.db2.gz LNZZJZDGLMKWOM-GFCCVEGCSA-N -1 1 400.482 0.252 20 0 HCADMM CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765430896 1079437161 /nfs/dbraw/zinc/43/71/61/1079437161.db2.gz LNZZJZDGLMKWOM-LBPRGKRZSA-N -1 1 400.482 0.252 20 0 HCADMM CCCn1c(=O)[nH]c(=O)c2c(C(=O)OCc3nc(=O)n(C)[n-]3)cc(C(C)C)nc21 ZINC000765434560 1079435921 /nfs/dbraw/zinc/43/59/21/1079435921.db2.gz JRRVAEBKDOHQQO-UHFFFAOYSA-N -1 1 402.411 0.809 20 0 HCADMM CCc1ccc(C(=O)OCc2nc(=O)n(C)[n-]2)cc1S(=O)(=O)N1CCOCC1 ZINC000765437173 1079436444 /nfs/dbraw/zinc/43/64/44/1079436444.db2.gz FDDVQHZNPNHENT-UHFFFAOYSA-N -1 1 410.452 0.049 20 0 HCADMM CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)OCc3nc(=O)n(C)[n-]3)cc(C3CC3)nc21 ZINC000765437660 1079436652 /nfs/dbraw/zinc/43/66/52/1079436652.db2.gz IFHNZKQOSUNXAJ-UHFFFAOYSA-N -1 1 414.422 0.809 20 0 HCADMM Cn1[n-]c(COC(=O)CCn2cnc3ccc(Br)cc3c2=O)nc1=O ZINC000765438168 1079436406 /nfs/dbraw/zinc/43/64/06/1079436406.db2.gz LITICHNQYVDHMV-UHFFFAOYSA-N -1 1 408.212 0.714 20 0 HCADMM COc1cc(N2C[C@@H](C(=O)OCc3nc(=O)n(C)[n-]3)CC2=O)cc(OC)c1OC ZINC000765438893 1079436689 /nfs/dbraw/zinc/43/66/89/1079436689.db2.gz QQQGLJHOOPYUGI-JTQLQIEISA-N -1 1 406.395 0.231 20 0 HCADMM COc1cc(N2C[C@H](C(=O)OCc3nc(=O)n(C)[n-]3)CC2=O)cc(OC)c1OC ZINC000765438924 1079436392 /nfs/dbraw/zinc/43/63/92/1079436392.db2.gz QQQGLJHOOPYUGI-SNVBAGLBSA-N -1 1 406.395 0.231 20 0 HCADMM CCCn1c(=O)[nH]c(=O)c2c(C(=O)OCc3nc(=O)n(C)[n-]3)cc(C3CC3)nc21 ZINC000765440309 1079438715 /nfs/dbraw/zinc/43/87/15/1079438715.db2.gz WNJBZBVSTASOOY-UHFFFAOYSA-N -1 1 400.395 0.563 20 0 HCADMM CN(CC(=O)OCc1nc(=O)n(C)[n-]1)S(=O)(=O)c1ccc(Br)cc1 ZINC000765442669 1079439196 /nfs/dbraw/zinc/43/91/96/1079439196.db2.gz AJLXLQFRZSWWAT-UHFFFAOYSA-N -1 1 419.257 0.235 20 0 HCADMM COc1cc(OC)cc(C(=O)N2CCC(C(=O)OCc3nc(=O)n(C)[n-]3)CC2)c1 ZINC000765442951 1079439502 /nfs/dbraw/zinc/43/95/02/1079439502.db2.gz DKEDLZULQSDAGJ-UHFFFAOYSA-N -1 1 404.423 0.721 20 0 HCADMM Cn1[n-]c(COC(=O)CS(=O)(=O)Cc2ccc(Br)cc2)nc1=O ZINC000765443462 1079437243 /nfs/dbraw/zinc/43/72/43/1079437243.db2.gz DSBPLVQKFGAWGY-UHFFFAOYSA-N -1 1 404.242 0.529 20 0 HCADMM Cn1[n-]c(COC(=O)CCN2C(=O)COc3cc(Br)ccc32)nc1=O ZINC000765443469 1079437126 /nfs/dbraw/zinc/43/71/26/1079437126.db2.gz DSFJBAXOVHSJEZ-UHFFFAOYSA-N -1 1 411.212 0.730 20 0 HCADMM Cn1[n-]c(COC(=O)CS(=O)(=O)Cc2cccc(Br)c2)nc1=O ZINC000765457729 1079439801 /nfs/dbraw/zinc/43/98/01/1079439801.db2.gz JYPQSEPIEZKFRZ-UHFFFAOYSA-N -1 1 404.242 0.529 20 0 HCADMM Cn1[n-]c(COC(=O)c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nn2)nc1=O ZINC000765460099 1079440158 /nfs/dbraw/zinc/44/01/58/1079440158.db2.gz GOSDVSNVGGDRSN-UHFFFAOYSA-N -1 1 407.431 0.629 20 0 HCADMM CC(=O)NC1(c2noc(CCC(=O)OCc3nc(=O)n(C)[n-]3)n2)CCCCCC1 ZINC000765460991 1079439925 /nfs/dbraw/zinc/43/99/25/1079439925.db2.gz WYTDXFRHASNHIY-UHFFFAOYSA-N -1 1 406.443 0.853 20 0 HCADMM Cn1[n-]c(COC(=O)CCNC(=O)c2cc(F)ccc2Br)nc1=O ZINC000765462371 1079442115 /nfs/dbraw/zinc/44/21/15/1079442115.db2.gz OOOSMAHXJXQNTI-UHFFFAOYSA-N -1 1 401.192 0.873 20 0 HCADMM Cn1[n-]c(COC(=O)CC2(CC(=O)OCc3nc(=O)n(C)[nH]3)CCCCC2)nc1=O ZINC000765462581 1079442212 /nfs/dbraw/zinc/44/22/12/1079442212.db2.gz CFRIGLRPTYOPRF-UHFFFAOYSA-N -1 1 422.442 0.048 20 0 HCADMM Cn1[n-]c(COC(=O)c2cc(Br)cc(S(C)(=O)=O)c2F)nc1=O ZINC000765462847 1079439896 /nfs/dbraw/zinc/43/98/96/1079439896.db2.gz PDESHFGPUWHNQY-UHFFFAOYSA-N -1 1 408.205 0.771 20 0 HCADMM Cn1[n-]c(COC(=O)C2(NS(=O)(=O)c3cccc(F)c3)CCCCC2)nc1=O ZINC000765462862 1079442080 /nfs/dbraw/zinc/44/20/80/1079442080.db2.gz PLYYSUADNNRIQN-UHFFFAOYSA-N -1 1 412.443 0.972 20 0 HCADMM Cn1[n-]c(COC(=O)c2sccc2S(=O)(=O)N2CCSCC2)nc1=O ZINC000765464015 1079442143 /nfs/dbraw/zinc/44/21/43/1079442143.db2.gz WNADVOMHVBZEPZ-UHFFFAOYSA-N -1 1 404.495 0.264 20 0 HCADMM Cc1c(C(=O)OCc2nc(=O)n(C)[n-]2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000765465360 1079442775 /nfs/dbraw/zinc/44/27/75/1079442775.db2.gz QQVTYRSBOUSMAN-UHFFFAOYSA-N -1 1 421.458 0.937 20 0 HCADMM COc1ccc(S(=O)(=O)NC(C)(C)C)c(CC(=O)OCc2nc(=O)n(C)[n-]2)c1 ZINC000765465566 1079442781 /nfs/dbraw/zinc/44/27/81/1079442781.db2.gz YZMYMMSANBMLOK-UHFFFAOYSA-N -1 1 412.468 0.480 20 0 HCADMM CN(C)S(=O)(=O)c1ccc(C(=O)OCc2nc(=O)n(C)[n-]2)cc1Br ZINC000765468330 1079441620 /nfs/dbraw/zinc/44/16/20/1079441620.db2.gz SKIPLNLFQKCRFL-UHFFFAOYSA-N -1 1 419.257 0.478 20 0 HCADMM Cn1[n-]c(COC(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)nc1=O ZINC000765472823 1079444344 /nfs/dbraw/zinc/44/43/44/1079444344.db2.gz GFSGVDZQBZPFLI-UHFFFAOYSA-N -1 1 409.468 0.584 20 0 HCADMM CC1CCN(S(=O)(=O)c2ccc(C(=O)OCc3nc(=O)n(C)[n-]3)s2)CC1 ZINC000765475169 1079444201 /nfs/dbraw/zinc/44/42/01/1079444201.db2.gz XTIZHHGQVURWFU-UHFFFAOYSA-N -1 1 400.482 0.948 20 0 HCADMM Cc1c(C(=O)OCc2nc(=O)n(C)[n-]2)cc(Br)cc1S(N)(=O)=O ZINC000765485835 1079445254 /nfs/dbraw/zinc/44/52/54/1079445254.db2.gz BBXAJJNKUQFQNC-UHFFFAOYSA-N -1 1 405.230 0.184 20 0 HCADMM Cn1[n-]c(COC(=O)c2c(C(F)(F)F)nn(CCO)c2C(F)(F)F)nc1=O ZINC000765493419 1079448815 /nfs/dbraw/zinc/44/88/15/1079448815.db2.gz GIGOYIOMNWXBES-UHFFFAOYSA-N -1 1 403.239 0.692 20 0 HCADMM Cn1[n-]c(COC(=O)c2cc(SCc3nc(=O)n(C)[nH]3)ccc2Cl)nc1=O ZINC000765493625 1079448821 /nfs/dbraw/zinc/44/88/21/1079448821.db2.gz XCGMPDQZGUPYSA-UHFFFAOYSA-N -1 1 410.843 0.833 20 0 HCADMM Cn1[n-]c(COC(=O)c2ccc(SCc3nc(=O)n(C)[nH]3)cc2Cl)nc1=O ZINC000765495261 1079448818 /nfs/dbraw/zinc/44/88/18/1079448818.db2.gz IGPMNAKVXHGYHZ-UHFFFAOYSA-N -1 1 410.843 0.833 20 0 HCADMM COc1cc2c(cc1OC)CN(C(=O)CCC(=O)OCc1nc(=O)n(C)[n-]1)CC2 ZINC000765495446 1079448427 /nfs/dbraw/zinc/44/84/27/1079448427.db2.gz SCUNLTAHEJOTTC-UHFFFAOYSA-N -1 1 404.423 0.534 20 0 HCADMM Cn1[n-]c(COC(=O)c2cn(CCOc3ccc(C=O)cc3Cl)nn2)nc1=O ZINC000765496403 1079448824 /nfs/dbraw/zinc/44/88/24/1079448824.db2.gz OADRIMQQCHZBKP-UHFFFAOYSA-N -1 1 406.786 0.602 20 0 HCADMM Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)OCc1nc(=O)n(C)[n-]1 ZINC000765497297 1079449010 /nfs/dbraw/zinc/44/90/10/1079449010.db2.gz ODNJXSGUSDIIQI-UHFFFAOYSA-N -1 1 404.242 0.940 20 0 HCADMM Cn1[n-]c(COC(=O)c2cc(Cl)ccc2SCc2nc(=O)n(C)[nH]2)nc1=O ZINC000765501146 1079449445 /nfs/dbraw/zinc/44/94/45/1079449445.db2.gz GUJJFSZWZCGWGQ-UHFFFAOYSA-N -1 1 410.843 0.833 20 0 HCADMM Cn1[n-]c(COC(=O)c2ccc(Cl)cc2SCc2nc(=O)n(C)[nH]2)nc1=O ZINC000765503677 1079449648 /nfs/dbraw/zinc/44/96/48/1079449648.db2.gz UJGGFWZFHBLSTC-UHFFFAOYSA-N -1 1 410.843 0.833 20 0 HCADMM CCS(=O)(=O)Nc1ccc(S(=O)(=O)NN=c2nc(OC)cc[n-]2)cc1F ZINC000765641558 1079535434 /nfs/dbraw/zinc/53/54/34/1079535434.db2.gz IMKDSLAWYNFQHF-UHFFFAOYSA-N -1 1 405.433 0.691 20 0 HCADMM CCS(=O)(=O)Nc1ccc(S(=O)(=O)NN=c2nc(OC)cc(C)[n-]2)cc1F ZINC000765646218 1079536935 /nfs/dbraw/zinc/53/69/35/1079536935.db2.gz CJPIZNIRSVOMJW-UHFFFAOYSA-N -1 1 419.460 1.000 20 0 HCADMM C[C@](O)(CNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)c1ccccc1Cl ZINC000765768213 1079940292 /nfs/dbraw/zinc/94/02/92/1079940292.db2.gz VTUAHNPYFWCRMB-INIZCTEOSA-N -1 1 415.855 0.334 20 0 HCADMM C[C@@](O)(CNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)c1ccccc1Cl ZINC000765768220 1079941522 /nfs/dbraw/zinc/94/15/22/1079941522.db2.gz VTUAHNPYFWCRMB-MRXNPFEDSA-N -1 1 415.855 0.334 20 0 HCADMM C[C@](O)(CNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)c1cccc(Cl)c1 ZINC000765788690 1080025767 /nfs/dbraw/zinc/02/57/67/1080025767.db2.gz ZQGJPNBNCOPAOK-INIZCTEOSA-N -1 1 415.855 0.334 20 0 HCADMM C[C@@](O)(CNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)c1cccc(Cl)c1 ZINC000765788692 1080025799 /nfs/dbraw/zinc/02/57/99/1080025799.db2.gz ZQGJPNBNCOPAOK-MRXNPFEDSA-N -1 1 415.855 0.334 20 0 HCADMM CCN=c1nc(NCC)nc2[n-]nc(SCC(=O)N3C[C@@H](C)N(CC)C[C@H]3C)n21 ZINC000765923120 1080396474 /nfs/dbraw/zinc/39/64/74/1080396474.db2.gz HPGBSFQDVHUMRQ-CHWSQXEVSA-N -1 1 421.575 0.838 20 0 HCADMM CCN=c1nc(NCC)nc2[n-]nc(SCC(=O)N3C[C@@H](C)N(CC)C[C@@H]3C)n21 ZINC000765923122 1080396607 /nfs/dbraw/zinc/39/66/07/1080396607.db2.gz HPGBSFQDVHUMRQ-OLZOCXBDSA-N -1 1 421.575 0.838 20 0 HCADMM CCN=c1nc(NCC)nc2[n-]nc(SCC(=O)N3C[C@H](C)N(CC)C[C@H]3C)n21 ZINC000765923123 1080396395 /nfs/dbraw/zinc/39/63/95/1080396395.db2.gz HPGBSFQDVHUMRQ-QWHCGFSZSA-N -1 1 421.575 0.838 20 0 HCADMM CCN=c1nc(NCC)nc2[n-]nc(SCC(=O)N3C[C@H](C)N(CC)C[C@@H]3C)n21 ZINC000765923124 1080396433 /nfs/dbraw/zinc/39/64/33/1080396433.db2.gz HPGBSFQDVHUMRQ-STQMWFEESA-N -1 1 421.575 0.838 20 0 HCADMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000765949392 1080511145 /nfs/dbraw/zinc/51/11/45/1080511145.db2.gz JFQKOBKORBJUJH-AWEZNQCLSA-N -1 1 421.251 0.389 20 0 HCADMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCNC(=O)[C@H]1c1cccc(Br)c1 ZINC000765949397 1080510802 /nfs/dbraw/zinc/51/08/02/1080510802.db2.gz JFQKOBKORBJUJH-CQSZACIVSA-N -1 1 421.251 0.389 20 0 HCADMM CS(=O)(=O)NC1CC([N-]S(=O)(=O)c2cc(Br)cnc2Cl)C1 ZINC000800955060 1077389280 /nfs/dbraw/zinc/38/92/80/1077389280.db2.gz LWGCKJYWSGGVFB-UHFFFAOYSA-N -1 1 418.722 0.856 20 0 HCADMM COC[C@@H](O)C[N-]S(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br ZINC000801706072 1079040246 /nfs/dbraw/zinc/04/02/46/1079040246.db2.gz UUIJJVKVHVBKCZ-QMMMGPOBSA-N -1 1 400.222 0.660 20 0 HCADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)CCNS(=O)(=O)c2cccnc2)cc1 ZINC000914615113 1077698887 /nfs/dbraw/zinc/69/88/87/1077698887.db2.gz ZFWNZZZFELDEEG-UHFFFAOYSA-N -1 1 421.431 0.258 20 0 HCADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000914650833 1077720840 /nfs/dbraw/zinc/72/08/40/1077720840.db2.gz BRJJBVOPESEGBV-AAEUAGOBSA-N -1 1 421.427 0.577 20 0 HCADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000914650834 1077720818 /nfs/dbraw/zinc/72/08/18/1077720818.db2.gz BRJJBVOPESEGBV-DGCLKSJQSA-N -1 1 421.427 0.577 20 0 HCADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000914650835 1077721181 /nfs/dbraw/zinc/72/11/81/1077721181.db2.gz BRJJBVOPESEGBV-WCQYABFASA-N -1 1 421.427 0.577 20 0 HCADMM O=C(OCc1cc(=O)oc2cc([O-])ccc12)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000914650836 1077721203 /nfs/dbraw/zinc/72/12/03/1077721203.db2.gz BRJJBVOPESEGBV-YPMHNXCESA-N -1 1 421.427 0.577 20 0 HCADMM COCCN1C[C@H](C(=O)OCC(=O)[N-]C(=O)c2ccc(OC(F)F)cc2)CC1=O ZINC000914659835 1077724021 /nfs/dbraw/zinc/72/40/21/1077724021.db2.gz FVRLCIKUFWLZSL-GFCCVEGCSA-N -1 1 414.361 0.583 20 0 HCADMM COCCN1C[C@@H](C(=O)OCC(=O)[N-]C(=O)c2ccc(OC(F)F)cc2)CC1=O ZINC000914659838 1077723990 /nfs/dbraw/zinc/72/39/90/1077723990.db2.gz FVRLCIKUFWLZSL-LBPRGKRZSA-N -1 1 414.361 0.583 20 0 HCADMM COCCOC(=O)c1sc2[n-]c(Cn3nc4ccccn4c3=O)nc(=O)c2c1C ZINC000914686381 1077737096 /nfs/dbraw/zinc/73/70/96/1077737096.db2.gz SXZXOESRVXTXBL-UHFFFAOYSA-N -1 1 415.431 0.954 20 0 HCADMM COc1cc[n-]c(=NNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1 ZINC000914689243 1077738254 /nfs/dbraw/zinc/73/82/54/1077738254.db2.gz VKENALASHTVKKH-UHFFFAOYSA-N -1 1 413.481 0.575 20 0 HCADMM COC(=O)CCS(=O)(=O)NNc1ccc(S(=O)(=O)[N-]c2ccccn2)cn1 ZINC000914746788 1077745313 /nfs/dbraw/zinc/74/53/13/1077745313.db2.gz KWPJARQFCSQFQJ-UHFFFAOYSA-N -1 1 415.453 0.087 20 0 HCADMM COC(=O)CCS(=O)(=O)[N-]N=c1ccc(S(=O)(=O)NC2CCCC2)c[nH]1 ZINC000914747254 1077746192 /nfs/dbraw/zinc/74/61/92/1077746192.db2.gz SFNWQNSSEHUFBG-UHFFFAOYSA-N -1 1 406.486 0.112 20 0 HCADMM Cn1cc(S(=O)(=O)NCCN2CCN(Cc3ccccc3)CC2)cc1C(=O)[O-] ZINC000914793907 1077762343 /nfs/dbraw/zinc/76/23/43/1077762343.db2.gz MZRVXVLYAXOUOE-UHFFFAOYSA-N -1 1 406.508 0.819 20 0 HCADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)Cc2ccc(S(N)(=O)=O)s2)cc1 ZINC000914961561 1077809895 /nfs/dbraw/zinc/80/98/95/1077809895.db2.gz ODVKIUGCKXEQIH-UHFFFAOYSA-N -1 1 412.445 0.446 20 0 HCADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)cc1 ZINC000914973729 1077811609 /nfs/dbraw/zinc/81/16/09/1077811609.db2.gz MGYQFDWHJPWZMK-LLVKDONJSA-N -1 1 402.325 0.906 20 0 HCADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)cc1 ZINC000914973730 1077811601 /nfs/dbraw/zinc/81/16/01/1077811601.db2.gz MGYQFDWHJPWZMK-NSHDSACASA-N -1 1 402.325 0.906 20 0 HCADMM O=C(COC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)[N-]C(=O)c1ccccc1 ZINC000914979586 1077810988 /nfs/dbraw/zinc/81/09/88/1077810988.db2.gz VDFZPIFPYFGYCZ-UHFFFAOYSA-N -1 1 422.415 0.414 20 0 HCADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1 ZINC000915008098 1077813745 /nfs/dbraw/zinc/81/37/45/1077813745.db2.gz KYQZBMHQMWJNTM-UHFFFAOYSA-N -1 1 420.443 0.816 20 0 HCADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2ccc(S(=O)(=O)N(C)C)o2)cc1 ZINC000915030277 1077818396 /nfs/dbraw/zinc/81/83/96/1077818396.db2.gz OUJXTNWYXAMMPO-UHFFFAOYSA-N -1 1 410.404 0.652 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2nc(CC3N=NC(=S)N3C)cs2)o1 ZINC000915067595 1077825971 /nfs/dbraw/zinc/82/59/71/1077825971.db2.gz AQTQDMJAGJBWNT-UHFFFAOYSA-N -1 1 414.494 0.905 20 0 HCADMM CCN(CC)S(=O)(=O)N1CCN(C(=O)c2c[n-]c3nc(C)ccc3c2=O)CC1 ZINC000915109879 1077830973 /nfs/dbraw/zinc/83/09/73/1077830973.db2.gz PMMAKMSKFIHDFD-UHFFFAOYSA-N -1 1 407.496 0.988 20 0 HCADMM CCN(CC)S(=O)(=O)N1CCN(C(=O)c2cnc3nc(C)ccc3c2[O-])CC1 ZINC000915109879 1077830972 /nfs/dbraw/zinc/83/09/72/1077830972.db2.gz PMMAKMSKFIHDFD-UHFFFAOYSA-N -1 1 407.496 0.988 20 0 HCADMM CC(C)CN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000915137874 1077833178 /nfs/dbraw/zinc/83/31/78/1077833178.db2.gz PMFKSWFXIBWWEA-AWEZNQCLSA-N -1 1 413.496 0.931 20 0 HCADMM CC(C)CN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC000915137875 1077833145 /nfs/dbraw/zinc/83/31/45/1077833145.db2.gz PMFKSWFXIBWWEA-CQSZACIVSA-N -1 1 413.496 0.931 20 0 HCADMM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2cccc(N3C(=O)CNC3=O)c2)c1 ZINC000915187851 1077837195 /nfs/dbraw/zinc/83/71/95/1077837195.db2.gz LLPQUFYMQMBEDO-UHFFFAOYSA-N -1 1 409.445 0.947 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCCOc2ccc(S(N)(=O)=O)cc2)o1 ZINC000915239298 1077844616 /nfs/dbraw/zinc/84/46/16/1077844616.db2.gz DQMXTJCEHOYERT-UHFFFAOYSA-N -1 1 404.422 0.071 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccsc2C(=O)OC)o1 ZINC000915239719 1077844737 /nfs/dbraw/zinc/84/47/37/1077844737.db2.gz JOOHKHJKAXJGJJ-UHFFFAOYSA-N -1 1 402.406 0.831 20 0 HCADMM CCc1ccccc1NC(=O)CNC(=O)COC(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000915239721 1077844733 /nfs/dbraw/zinc/84/47/33/1077844733.db2.gz JUBYVFQCPNTRAK-UHFFFAOYSA-N -1 1 423.447 0.662 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)N[C@@H](Cc2ccccc2)C(C)=O)o1 ZINC000915240195 1077844793 /nfs/dbraw/zinc/84/47/93/1077844793.db2.gz PLDPTIOPULWERO-AWEZNQCLSA-N -1 1 408.432 0.661 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)N[C@H](Cc2ccccc2)C(C)=O)o1 ZINC000915240196 1077844780 /nfs/dbraw/zinc/84/47/80/1077844780.db2.gz PLDPTIOPULWERO-CQSZACIVSA-N -1 1 408.432 0.661 20 0 HCADMM CCOC(=O)CN(C(=O)COC(=O)c1ccc(S(=O)(=O)[N-]C)o1)c1ccccc1 ZINC000915240231 1077844764 /nfs/dbraw/zinc/84/47/64/1077844764.db2.gz RJWRXAMQNHTJAB-UHFFFAOYSA-N -1 1 424.431 0.941 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)NCCCN(C)c2ccccc2)o1 ZINC000915240253 1077844803 /nfs/dbraw/zinc/84/48/03/1077844803.db2.gz SCFZUSPKDJWFMP-UHFFFAOYSA-N -1 1 409.464 0.987 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)NC[C@@H]2COc3ccccc3O2)o1 ZINC000915240444 1077844742 /nfs/dbraw/zinc/84/47/42/1077844742.db2.gz SFKXUJYXTIKEFC-LLVKDONJSA-N -1 1 410.404 0.301 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)NC[C@H]2COc3ccccc3O2)o1 ZINC000915240445 1077844774 /nfs/dbraw/zinc/84/47/74/1077844774.db2.gz SFKXUJYXTIKEFC-NSHDSACASA-N -1 1 410.404 0.301 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cccc(S(C)(=O)=O)c2)o1 ZINC000915240634 1077843471 /nfs/dbraw/zinc/84/34/71/1077843471.db2.gz UPTSKCJFEGWFHT-UHFFFAOYSA-N -1 1 416.433 0.387 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)N(C)c2ccccc2C(=O)OC)o1 ZINC000915240724 1077843504 /nfs/dbraw/zinc/84/35/04/1077843504.db2.gz WGWLSRUYMBIJRF-UHFFFAOYSA-N -1 1 410.404 0.794 20 0 HCADMM CCOC(=O)C1CCN(C(=O)COC(=O)c2ccc(S(=O)(=O)[N-]C)o2)CC1 ZINC000915240893 1077843727 /nfs/dbraw/zinc/84/37/27/1077843727.db2.gz ZDZSOMMAKDHTNK-UHFFFAOYSA-N -1 1 402.425 0.146 20 0 HCADMM CCOC(=O)[C@H]1CCCCN1C(=O)COC(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000915240900 1077843757 /nfs/dbraw/zinc/84/37/57/1077843757.db2.gz ZHWAJDZJKMWWJQ-LLVKDONJSA-N -1 1 402.425 0.289 20 0 HCADMM CCOC(=O)[C@@H]1CCCCN1C(=O)COC(=O)c1ccc(S(=O)(=O)[N-]C)o1 ZINC000915240901 1077843678 /nfs/dbraw/zinc/84/36/78/1077843678.db2.gz ZHWAJDZJKMWWJQ-NSHDSACASA-N -1 1 402.425 0.289 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2ccc(OC)c(OC)c2)o1 ZINC000915241185 1077843686 /nfs/dbraw/zinc/84/36/86/1077843686.db2.gz FFFGWDIINJBCEZ-UHFFFAOYSA-N -1 1 412.420 0.678 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)N(CCC(N)=O)Cc2ccccc2)o1 ZINC000915242015 1077844019 /nfs/dbraw/zinc/84/40/19/1077844019.db2.gz MRDNHAMUQUZYAD-UHFFFAOYSA-N -1 1 423.447 0.249 20 0 HCADMM CCOC(=O)[C@@H]1CCCN(C(=O)COC(=O)c2ccc(S(=O)(=O)[N-]C)o2)C1 ZINC000915244732 1077845525 /nfs/dbraw/zinc/84/55/25/1077845525.db2.gz BGCCXUMUKBUOFA-LLVKDONJSA-N -1 1 402.425 0.146 20 0 HCADMM CCOC(=O)[C@H]1CCCN(C(=O)COC(=O)c2ccc(S(=O)(=O)[N-]C)o2)C1 ZINC000915244733 1077845576 /nfs/dbraw/zinc/84/55/76/1077845576.db2.gz BGCCXUMUKBUOFA-NSHDSACASA-N -1 1 402.425 0.146 20 0 HCADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCCC[C@@H]2C(N)=O)o1 ZINC000915244820 1077845516 /nfs/dbraw/zinc/84/55/16/1077845516.db2.gz DIRONJTVJIXPTJ-LLVKDONJSA-N -1 1 415.468 0.380 20 0 HCADMM CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCCC[C@H]2C(N)=O)o1 ZINC000915244827 1077845497 /nfs/dbraw/zinc/84/54/97/1077845497.db2.gz DIRONJTVJIXPTJ-NSHDSACASA-N -1 1 415.468 0.380 20 0 HCADMM CCCNC(=O)CN(C)C(=O)COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000915245317 1077845556 /nfs/dbraw/zinc/84/55/56/1077845556.db2.gz ITVNGMJNBNIICM-UHFFFAOYSA-N -1 1 417.484 0.498 20 0 HCADMM CC(=O)N1CCN(C(=O)COC(=O)c2ccc(S(=O)(=O)[N-]C(C)(C)C)o2)CC1 ZINC000915246069 1077845721 /nfs/dbraw/zinc/84/57/21/1077845721.db2.gz RAVOWNTZZUBFMZ-UHFFFAOYSA-N -1 1 415.468 0.204 20 0 HCADMM COC[C@H](C)NC(=O)NC(=O)COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000915246641 1077845701 /nfs/dbraw/zinc/84/57/01/1077845701.db2.gz YCCKRHQXAWNVPF-JTQLQIEISA-N -1 1 419.456 0.374 20 0 HCADMM COC[C@@H](C)NC(=O)NC(=O)COC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1 ZINC000915246642 1077845813 /nfs/dbraw/zinc/84/58/13/1077845813.db2.gz YCCKRHQXAWNVPF-SNVBAGLBSA-N -1 1 419.456 0.374 20 0 HCADMM CCOC(=O)NCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000915259681 1077847844 /nfs/dbraw/zinc/84/78/44/1077847844.db2.gz LUNDOOYSZFZCGD-UHFFFAOYSA-N -1 1 401.441 0.488 20 0 HCADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)cc1 ZINC000915408197 1077873142 /nfs/dbraw/zinc/87/31/42/1077873142.db2.gz LQRANJQONVITFU-UHFFFAOYSA-N -1 1 409.420 0.387 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc(CCNC(C)=O)cc2)o1 ZINC000915416356 1077872902 /nfs/dbraw/zinc/87/29/02/1077872902.db2.gz BKKYJJRMCHFXDL-UHFFFAOYSA-N -1 1 408.432 0.906 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cccc(C(=O)NC3CC3)c2)o1 ZINC000915416419 1077872877 /nfs/dbraw/zinc/87/28/77/1077872877.db2.gz FOKYXMRUWCGXAL-UHFFFAOYSA-N -1 1 421.431 0.875 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H](C(=O)N2CCC[C@@H](C(N)=O)C2)C(C)C)o1 ZINC000915416421 1077872871 /nfs/dbraw/zinc/87/28/71/1077872871.db2.gz FOWDVNCSKHPTRN-BXUZGUMPSA-N -1 1 415.468 0.093 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@H](C(=O)N2CCC[C@H](C(N)=O)C2)C(C)C)o1 ZINC000915416424 1077872897 /nfs/dbraw/zinc/87/28/97/1077872897.db2.gz FOWDVNCSKHPTRN-FZMZJTMJSA-N -1 1 415.468 0.093 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@H](C(=O)N2CCC[C@@H](C(N)=O)C2)C(C)C)o1 ZINC000915416425 1077872839 /nfs/dbraw/zinc/87/28/39/1077872839.db2.gz FOWDVNCSKHPTRN-RISCZKNCSA-N -1 1 415.468 0.093 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H](C(=O)N2CCC[C@H](C(N)=O)C2)C(C)C)o1 ZINC000915416427 1077872933 /nfs/dbraw/zinc/87/29/33/1077872933.db2.gz FOWDVNCSKHPTRN-SMDDNHRTSA-N -1 1 415.468 0.093 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)NC[C@H]2COc3ccccc3O2)o1 ZINC000915416440 1077872891 /nfs/dbraw/zinc/87/28/91/1077872891.db2.gz GICVNOSMNQAMIG-NEPJUHHUSA-N -1 1 424.431 0.689 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)o1 ZINC000915416442 1077872857 /nfs/dbraw/zinc/87/28/57/1077872857.db2.gz GICVNOSMNQAMIG-NWDGAFQWSA-N -1 1 424.431 0.689 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)NC[C@H]2COc3ccccc3O2)o1 ZINC000915416444 1077872910 /nfs/dbraw/zinc/87/29/10/1077872910.db2.gz GICVNOSMNQAMIG-RYUDHWBXSA-N -1 1 424.431 0.689 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)o1 ZINC000915416447 1077872886 /nfs/dbraw/zinc/87/28/86/1077872886.db2.gz GICVNOSMNQAMIG-VXGBXAGGSA-N -1 1 424.431 0.689 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@H](C(=O)N2CCN(C(C)=O)CC2)C(C)C)o1 ZINC000915416604 1077872866 /nfs/dbraw/zinc/87/28/66/1077872866.db2.gz HPZPXRJBQODTRW-HNNXBMFYSA-N -1 1 415.468 0.060 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H](C(=O)N2CCN(C(C)=O)CC2)C(C)C)o1 ZINC000915416605 1077872914 /nfs/dbraw/zinc/87/29/14/1077872914.db2.gz HPZPXRJBQODTRW-OAHLLOKOSA-N -1 1 415.468 0.060 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)NCc2ccc(C(=O)OC)cc2)o1 ZINC000915416669 1077872852 /nfs/dbraw/zinc/87/28/52/1077872852.db2.gz JNPPFDZOKJXWOJ-LLVKDONJSA-N -1 1 424.431 0.836 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)NCc2ccc(C(=O)OC)cc2)o1 ZINC000915416670 1077872846 /nfs/dbraw/zinc/87/28/46/1077872846.db2.gz JNPPFDZOKJXWOJ-NSHDSACASA-N -1 1 424.431 0.836 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)o1 ZINC000915416819 1077872925 /nfs/dbraw/zinc/87/29/25/1077872925.db2.gz LXENHJAGGLTMEC-UHFFFAOYSA-N -1 1 423.447 0.820 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(Cc3ccccc3)CC2)o1 ZINC000915417778 1077873375 /nfs/dbraw/zinc/87/33/75/1077873375.db2.gz NWPUPLKXWTZPFU-UHFFFAOYSA-N -1 1 421.475 0.689 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)o1 ZINC000915417812 1077875389 /nfs/dbraw/zinc/87/53/89/1077875389.db2.gz POMHDXCYXPDDKA-UHFFFAOYSA-N -1 1 414.417 0.189 20 0 HCADMM CCOC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(S(=O)(=O)[N-]C)o2)CC1 ZINC000915417939 1077875400 /nfs/dbraw/zinc/87/54/00/1077875400.db2.gz SSXIVCANRYCKNR-LLVKDONJSA-N -1 1 416.452 0.535 20 0 HCADMM CCOC(=O)C1CCN(C(=O)[C@H](C)OC(=O)c2ccc(S(=O)(=O)[N-]C)o2)CC1 ZINC000915417940 1077875384 /nfs/dbraw/zinc/87/53/84/1077875384.db2.gz SSXIVCANRYCKNR-NSHDSACASA-N -1 1 416.452 0.535 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)o1 ZINC000915420168 1077875311 /nfs/dbraw/zinc/87/53/11/1077875311.db2.gz AEJXRMWIEKVSRS-UHFFFAOYSA-N -1 1 421.387 0.209 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccccc2C(=O)NC2CC2)o1 ZINC000915420283 1077875379 /nfs/dbraw/zinc/87/53/79/1077875379.db2.gz HKFGAPGGJGIXFC-UHFFFAOYSA-N -1 1 421.431 0.875 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)N(C)CC(=O)Nc2ccc(C)cc2)o1 ZINC000915421113 1077873600 /nfs/dbraw/zinc/87/36/00/1077873600.db2.gz ODUKBRKMWIANQW-UHFFFAOYSA-N -1 1 423.447 0.750 20 0 HCADMM CN(CCO)S(=O)(=O)c1ccc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)cc1 ZINC000915474300 1077886340 /nfs/dbraw/zinc/88/63/40/1077886340.db2.gz SGCPZRJSIQRINN-UHFFFAOYSA-N -1 1 420.443 0.413 20 0 HCADMM C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)cc1 ZINC000915477877 1077888657 /nfs/dbraw/zinc/88/86/57/1077888657.db2.gz YDUBXFGTSHVOJG-CYBMUJFWSA-N -1 1 420.443 0.459 20 0 HCADMM C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)cc1 ZINC000915477878 1077888682 /nfs/dbraw/zinc/88/86/82/1077888682.db2.gz YDUBXFGTSHVOJG-ZDUSSCGKSA-N -1 1 420.443 0.459 20 0 HCADMM C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)cc1 ZINC000915481283 1077889273 /nfs/dbraw/zinc/88/92/73/1077889273.db2.gz NFDRWULKOYZBIQ-CYBMUJFWSA-N -1 1 420.443 0.459 20 0 HCADMM C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)OCC(=O)[N-]C(=O)c2ccccc2)cc1 ZINC000915481285 1077889165 /nfs/dbraw/zinc/88/91/65/1077889165.db2.gz NFDRWULKOYZBIQ-ZDUSSCGKSA-N -1 1 420.443 0.459 20 0 HCADMM COc1c(F)cc(CC(=O)OCC(=O)[N-]C(=O)c2ccccc2)cc1S(N)(=O)=O ZINC000915544433 1077924583 /nfs/dbraw/zinc/92/45/83/1077924583.db2.gz DBTFOUWMNPQSIQ-UHFFFAOYSA-N -1 1 424.406 0.524 20 0 HCADMM COCCS(=O)(=O)CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-] ZINC000915637063 1077943953 /nfs/dbraw/zinc/94/39/53/1077943953.db2.gz GAAPUGNQQXRVLH-UHFFFAOYSA-N -1 1 406.482 0.176 20 0 HCADMM CCN(CC)S(=O)(=O)c1ccc([O-])c(NC(=O)CS(=O)(=O)CCOC)c1 ZINC000915637081 1077943703 /nfs/dbraw/zinc/94/37/03/1077943703.db2.gz GZWLNAMJVCOESD-UHFFFAOYSA-N -1 1 408.498 0.422 20 0 HCADMM Cc1nn(C)c(C)c1S(=O)(=O)[N-]C(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000916182393 1078071340 /nfs/dbraw/zinc/07/13/40/1078071340.db2.gz GTXCGBSCEAZFNJ-UHFFFAOYSA-N -1 1 407.477 0.691 20 0 HCADMM O=C([N-]S(=O)(=O)CCN1C(=O)c2ccccc2C1=O)c1[nH]nc2c1CCCC2 ZINC000916185204 1078071797 /nfs/dbraw/zinc/07/17/97/1078071797.db2.gz IRZQPMKDZGJFLK-UHFFFAOYSA-N -1 1 402.432 0.644 20 0 HCADMM CN(CC(=O)N1CCN(C)CC1)C(=O)c1cc(I)ccc1[O-] ZINC000916558146 1078093028 /nfs/dbraw/zinc/09/30/28/1078093028.db2.gz BPWIMNWJDMSCID-UHFFFAOYSA-N -1 1 417.247 0.843 20 0 HCADMM CN(C)[C@H](CNS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1)Cc1ccccc1 ZINC000916574531 1078093831 /nfs/dbraw/zinc/09/38/31/1078093831.db2.gz QQPKCOAALRRCPQ-KRWDZBQOSA-N -1 1 419.503 0.952 20 0 HCADMM CN(C)[C@@H](CNS(=O)(=O)c1ccc(C(=O)NCC(=O)[O-])cc1)Cc1ccccc1 ZINC000916574532 1078093873 /nfs/dbraw/zinc/09/38/73/1078093873.db2.gz QQPKCOAALRRCPQ-QGZVFWFLSA-N -1 1 419.503 0.952 20 0 HCADMM O=C(Nc1nn[n-]n1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl ZINC000916828635 1078154711 /nfs/dbraw/zinc/15/47/11/1078154711.db2.gz FIFYSDLPBSYNLC-UHFFFAOYSA-N -1 1 407.239 0.780 20 0 HCADMM O=C(Nc1nnn[n-]1)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl ZINC000916828635 1078154687 /nfs/dbraw/zinc/15/46/87/1078154687.db2.gz FIFYSDLPBSYNLC-UHFFFAOYSA-N -1 1 407.239 0.780 20 0 HCADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000917113834 1078219867 /nfs/dbraw/zinc/21/98/67/1078219867.db2.gz MTIWBGZHUUHVKA-CYBMUJFWSA-N -1 1 417.447 0.886 20 0 HCADMM O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000917113835 1078219679 /nfs/dbraw/zinc/21/96/79/1078219679.db2.gz MTIWBGZHUUHVKA-ZDUSSCGKSA-N -1 1 417.447 0.886 20 0 HCADMM CCOC(=O)N[C@H]1CCCN(C(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)C1 ZINC000917189981 1078242841 /nfs/dbraw/zinc/24/28/41/1078242841.db2.gz BDCZMIXOHFEBEF-HNNXBMFYSA-N -1 1 421.498 0.997 20 0 HCADMM CCOC(=O)N[C@@H]1CCCN(C(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)C1 ZINC000917189982 1078242793 /nfs/dbraw/zinc/24/27/93/1078242793.db2.gz BDCZMIXOHFEBEF-OAHLLOKOSA-N -1 1 421.498 0.997 20 0 HCADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCCCNc1ncccn1 ZINC000917339041 1078268491 /nfs/dbraw/zinc/26/84/91/1078268491.db2.gz RJZVAVHJRPUMQJ-UHFFFAOYSA-N -1 1 401.471 0.668 20 0 HCADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]N=c1ccc(S(=O)(=O)NC2CC2)c[nH]1 ZINC000917736746 1078326484 /nfs/dbraw/zinc/32/64/84/1078326484.db2.gz DHECJFZPXBDUGC-UHFFFAOYSA-N -1 1 420.904 0.523 20 0 HCADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]N=c1ccc(S(=O)(=O)NC(C)C)c[nH]1 ZINC000917736837 1078326459 /nfs/dbraw/zinc/32/64/59/1078326459.db2.gz ITHSBMLYXCIXPV-UHFFFAOYSA-N -1 1 422.920 0.769 20 0 HCADMM COC(=O)CNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)OC3)cc1 ZINC000917743880 1078328798 /nfs/dbraw/zinc/32/87/98/1078328798.db2.gz PQTLZERWMBKMFG-UHFFFAOYSA-N -1 1 418.427 0.990 20 0 HCADMM COc1ccc(S(=O)(=O)[N-]c2cccc(N3C(=O)CN(C)C3=O)c2)cc1C(N)=O ZINC000917744117 1078328853 /nfs/dbraw/zinc/32/88/53/1078328853.db2.gz KNYLCRKHCRQWTO-UHFFFAOYSA-N -1 1 418.431 0.993 20 0 HCADMM CN1CC(=O)N(c2cccc([N-]S(=O)(=O)c3cccc(S(N)(=O)=O)c3)c2)C1=O ZINC000917744505 1078329204 /nfs/dbraw/zinc/32/92/04/1078329204.db2.gz OJAXLHPWXIFIBI-UHFFFAOYSA-N -1 1 424.460 0.533 20 0 HCADMM NS(=O)(=O)c1ccc(F)c([N-]S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c1 ZINC000917748593 1078329487 /nfs/dbraw/zinc/32/94/87/1078329487.db2.gz ODAGXSOVFDMAKS-UHFFFAOYSA-N -1 1 416.456 0.838 20 0 HCADMM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]c1cc(S(N)(=O)=O)ccc1F ZINC000917748659 1078329397 /nfs/dbraw/zinc/32/93/97/1078329397.db2.gz QVEQPDOGLKBYSX-UHFFFAOYSA-N -1 1 408.454 0.677 20 0 HCADMM O=C([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(CC3CC3)CC2)o1 ZINC000917758971 1078328558 /nfs/dbraw/zinc/32/85/58/1078328558.db2.gz WZICLXCMTNVGBL-AWEZNQCLSA-N -1 1 411.480 0.685 20 0 HCADMM O=C([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(CC3CC3)CC2)o1 ZINC000917758972 1078328522 /nfs/dbraw/zinc/32/85/22/1078328522.db2.gz WZICLXCMTNVGBL-CQSZACIVSA-N -1 1 411.480 0.685 20 0 HCADMM O=S(=O)(CC[N-]S(=O)(=O)c1cc(Br)cnc1Cl)NC1CC1 ZINC000917877169 1078343440 /nfs/dbraw/zinc/34/34/40/1078343440.db2.gz FIDZIOWTKQLFDQ-UHFFFAOYSA-N -1 1 418.722 0.858 20 0 HCADMM Cn1cc(S(=O)(=O)[N-]CCc2ccc(N3CCCCC3)cc2)c(=O)n(C)c1=O ZINC000917897817 1078344203 /nfs/dbraw/zinc/34/42/03/1078344203.db2.gz QTTCLDDFTNKLEF-UHFFFAOYSA-N -1 1 406.508 0.595 20 0 HCADMM CN1CCN(c2cc(CNS(=O)(=O)c3ccc(O)c(C(=O)[O-])c3)ccn2)CC1 ZINC000917903711 1078344870 /nfs/dbraw/zinc/34/48/70/1078344870.db2.gz LKDWKASGLDHDAI-UHFFFAOYSA-N -1 1 406.464 0.716 20 0 HCADMM CN1CCN(c2cc(CNS(=O)(=O)c3ccc(OCC(=O)[O-])cc3)ccn2)CC1 ZINC000917903780 1078344968 /nfs/dbraw/zinc/34/49/68/1078344968.db2.gz ONWNHNDDCCOQJH-UHFFFAOYSA-N -1 1 420.491 0.775 20 0 HCADMM CN(CCS(=O)(=O)[N-]Cc1nc(C2CC2)no1)S(=O)(=O)c1ccc(F)cc1 ZINC000917923508 1078348863 /nfs/dbraw/zinc/34/88/63/1078348863.db2.gz ZUFTVMAFPUXEGB-UHFFFAOYSA-N -1 1 418.472 0.826 20 0 HCADMM Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1Cl ZINC000917931485 1078350694 /nfs/dbraw/zinc/35/06/94/1078350694.db2.gz XHFJZFDJVPJWAY-UHFFFAOYSA-N -1 1 421.907 0.431 20 0 HCADMM CCN(C(=O)COC(=O)c1nn(-c2ccccc2)cc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000917945291 1078349793 /nfs/dbraw/zinc/34/97/93/1078349793.db2.gz OIEJXJCOVLPYJX-AWEZNQCLSA-N -1 1 407.448 0.770 20 0 HCADMM CCN(C(=O)COC(=O)c1nn(-c2ccccc2)cc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000917945292 1078349836 /nfs/dbraw/zinc/34/98/36/1078349836.db2.gz OIEJXJCOVLPYJX-CQSZACIVSA-N -1 1 407.448 0.770 20 0 HCADMM CNS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)[N-]C(=O)c2ccc(OC)cc2)c1 ZINC000917957260 1078352223 /nfs/dbraw/zinc/35/22/23/1078352223.db2.gz DEPDKHUXWCNRPJ-UHFFFAOYSA-N -1 1 424.406 0.856 20 0 HCADMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000917998608 1078355778 /nfs/dbraw/zinc/35/57/78/1078355778.db2.gz QWCTULSPXRRHFA-UHFFFAOYSA-N -1 1 423.454 0.830 20 0 HCADMM CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000917999978 1078356103 /nfs/dbraw/zinc/35/61/03/1078356103.db2.gz FDZZKSNRANVSFA-UHFFFAOYSA-N -1 1 415.450 0.732 20 0 HCADMM CCOC(=O)C1=C(NC(=O)CN2CCS(=O)(=O)CC2)[N-]c2ccccc2N=C1C ZINC000918145634 1078366712 /nfs/dbraw/zinc/36/67/12/1078366712.db2.gz PIPDQUQUNBUTRY-UHFFFAOYSA-N -1 1 420.491 0.826 20 0 HCADMM O=C1OCCN1c1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1 ZINC000918167604 1078369129 /nfs/dbraw/zinc/36/91/29/1078369129.db2.gz NLPNZZUHRSRZHN-UHFFFAOYSA-N -1 1 402.388 0.974 20 0 HCADMM COc1cc(-c2noc(CCC(=O)NN3CC(=O)[N-]C3=O)n2)cc(Cl)c1OC ZINC000918279897 1078381050 /nfs/dbraw/zinc/38/10/50/1078381050.db2.gz OBCJZIAIBIVVGS-UHFFFAOYSA-N -1 1 409.786 0.923 20 0 HCADMM COC(=O)CNC(=O)Cc1ccc([N-]S(=O)(=O)c2cccc3c2COC3=O)cc1 ZINC000918728290 1078557814 /nfs/dbraw/zinc/55/78/14/1078557814.db2.gz JILGOZDWGFOOOB-UHFFFAOYSA-N -1 1 418.427 0.990 20 0 HCADMM CS(=O)(=O)c1cc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)ccc1F ZINC000918753637 1078567041 /nfs/dbraw/zinc/56/70/41/1078567041.db2.gz FOIFINRIAHEUEY-UHFFFAOYSA-N -1 1 408.454 0.677 20 0 HCADMM CS(=O)(=O)c1cc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2)ccc1F ZINC000918754073 1078566969 /nfs/dbraw/zinc/56/69/69/1078566969.db2.gz ZSIWCAYIRSJSTG-UHFFFAOYSA-N -1 1 408.454 0.677 20 0 HCADMM CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)cc1 ZINC000918754160 1078567607 /nfs/dbraw/zinc/56/76/07/1078567607.db2.gz CPHPRMQCOGOUAM-UHFFFAOYSA-N -1 1 422.481 0.938 20 0 HCADMM CS(=O)(=O)c1cc(S(=O)(=O)[N-]c2ccc(OCC(N)=O)cc2)ccc1F ZINC000918754305 1078567561 /nfs/dbraw/zinc/56/75/61/1078567561.db2.gz UVDIYQFWSXRKDK-UHFFFAOYSA-N -1 1 402.425 0.894 20 0 HCADMM CCn1c(=O)c2ccccc2n(CC(=O)N[C@H](c2nn[n-]n2)c2ccccc2)c1=O ZINC000918757843 1078569835 /nfs/dbraw/zinc/56/98/35/1078569835.db2.gz KQITZKYDOVVYFG-KRWDZBQOSA-N -1 1 405.418 0.602 20 0 HCADMM CCn1c(=O)c2ccccc2n(CC(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)c1=O ZINC000918757844 1078569886 /nfs/dbraw/zinc/56/98/86/1078569886.db2.gz KQITZKYDOVVYFG-QGZVFWFLSA-N -1 1 405.418 0.602 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2nnc3n2c2ccsc2c(=O)n3C)o1 ZINC000919103734 1078739481 /nfs/dbraw/zinc/73/94/81/1078739481.db2.gz FOQNUKAOBBNEFC-UHFFFAOYSA-N -1 1 423.432 0.501 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)NC[C@@H]2CCN(c3ccccc3)C2)o1 ZINC000919104039 1078739437 /nfs/dbraw/zinc/73/94/37/1078739437.db2.gz JAWSNBCNUJJDHF-AWEZNQCLSA-N -1 1 421.475 0.987 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)NC[C@H]2CCN(c3ccccc3)C2)o1 ZINC000919104041 1078739491 /nfs/dbraw/zinc/73/94/91/1078739491.db2.gz JAWSNBCNUJJDHF-CQSZACIVSA-N -1 1 421.475 0.987 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)NC2(C(=O)OC)CCCCC2)o1 ZINC000919104641 1078740008 /nfs/dbraw/zinc/74/00/08/1078740008.db2.gz NOHDRXJXHQTRAK-UHFFFAOYSA-N -1 1 402.425 0.337 20 0 HCADMM CS(=O)(=O)[N-]c1ccsc1C(=O)OCC(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000919371831 1078843594 /nfs/dbraw/zinc/84/35/94/1078843594.db2.gz FBYNVXFEKUPNBM-UHFFFAOYSA-N -1 1 418.474 0.807 20 0 HCADMM CC(=O)N[C@@H]1CCCN(C(=O)COC(=O)c2sccc2[N-]S(C)(=O)=O)C1 ZINC000919372356 1078843585 /nfs/dbraw/zinc/84/35/85/1078843585.db2.gz YBHZARAWXMMIIF-LLVKDONJSA-N -1 1 403.482 0.404 20 0 HCADMM CC(=O)N[C@H]1CCCN(C(=O)COC(=O)c2sccc2[N-]S(C)(=O)=O)C1 ZINC000919372357 1078843524 /nfs/dbraw/zinc/84/35/24/1078843524.db2.gz YBHZARAWXMMIIF-NSHDSACASA-N -1 1 403.482 0.404 20 0 HCADMM O=C(COC(=O)CCN1CCCS1(=O)=O)[N-]C(=O)c1ccc(OC(F)F)cc1 ZINC000919442295 1078869722 /nfs/dbraw/zinc/86/97/22/1078869722.db2.gz VZKUGRHGHUQFHZ-UHFFFAOYSA-N -1 1 420.390 0.513 20 0 HCADMM COc1ccc(C(=O)[N-]C(=O)COC(=O)CCCS(=O)(=O)N2CCCC2)cc1 ZINC000919554983 1078912330 /nfs/dbraw/zinc/91/23/30/1078912330.db2.gz KNQAKTGJMFXZHU-UHFFFAOYSA-N -1 1 412.464 0.701 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)N1CCCC[C@H]1C(N)=O ZINC000919559408 1078915848 /nfs/dbraw/zinc/91/58/48/1078915848.db2.gz IIGLIUPNRBPWAT-HNNXBMFYSA-N -1 1 411.480 0.862 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)N1CCCC[C@@H]1C(N)=O ZINC000919559409 1078915597 /nfs/dbraw/zinc/91/55/97/1078915597.db2.gz IIGLIUPNRBPWAT-OAHLLOKOSA-N -1 1 411.480 0.862 20 0 HCADMM CCN1CCN(c2ccc(CNS(=O)(=O)c3cc(C(=O)[O-])n(C)c3)cn2)CC1 ZINC000919725990 1078979987 /nfs/dbraw/zinc/97/99/87/1078979987.db2.gz HXEVUUQWTDZGEQ-UHFFFAOYSA-N -1 1 407.496 0.739 20 0 HCADMM COC(=O)C1CCN(CCCNS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)CC1 ZINC000919726055 1078980781 /nfs/dbraw/zinc/98/07/81/1078980781.db2.gz LNDQOWJOHZRBGN-UHFFFAOYSA-N -1 1 400.453 0.644 20 0 HCADMM COC(=O)C1CCN(CCCNS(=O)(=O)c2cc(C(=O)[O-])ccc2OC)CC1 ZINC000919726711 1078980801 /nfs/dbraw/zinc/98/08/01/1078980801.db2.gz UANSMTZIGSUPEW-UHFFFAOYSA-N -1 1 414.480 0.947 20 0 HCADMM COC(=O)C1CCN(CCCNS(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)CC1 ZINC000919726829 1078980683 /nfs/dbraw/zinc/98/06/83/1078980683.db2.gz XKAJPQHIHWRXMH-UHFFFAOYSA-N -1 1 414.480 0.952 20 0 HCADMM O=C(c1cc(Cl)ccc1[O-])N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000919816061 1079014440 /nfs/dbraw/zinc/01/44/40/1079014440.db2.gz KGEKJBMNCFYNQQ-GFCCVEGCSA-N -1 1 422.912 0.320 20 0 HCADMM O=C(c1cc(Cl)ccc1[O-])N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000919816063 1079014948 /nfs/dbraw/zinc/01/49/48/1079014948.db2.gz KGEKJBMNCFYNQQ-LBPRGKRZSA-N -1 1 422.912 0.320 20 0 HCADMM O=C(c1ccc(Cl)cc1[O-])N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000919817638 1079015320 /nfs/dbraw/zinc/01/53/20/1079015320.db2.gz CKDPQQFISWKLQV-GFCCVEGCSA-N -1 1 422.912 0.320 20 0 HCADMM O=C(c1ccc(Cl)cc1[O-])N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000919817639 1079015154 /nfs/dbraw/zinc/01/51/54/1079015154.db2.gz CKDPQQFISWKLQV-LBPRGKRZSA-N -1 1 422.912 0.320 20 0 HCADMM CCOC(=O)N1CCN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)cc2F)CC1 ZINC000920260262 1079140492 /nfs/dbraw/zinc/14/04/92/1079140492.db2.gz WSKXNJOCHKEBRO-UHFFFAOYSA-N -1 1 409.461 0.660 20 0 HCADMM Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)cc1S(N)(=O)=O ZINC000920310443 1079146218 /nfs/dbraw/zinc/14/62/18/1079146218.db2.gz YFYURLSDWOXCLV-UHFFFAOYSA-N -1 1 422.481 0.986 20 0 HCADMM CS(=O)(=O)c1cc(S(=O)(=O)[N-]c2ccc(CS(N)(=O)=O)cc2)ccc1F ZINC000920311241 1079149070 /nfs/dbraw/zinc/14/90/70/1079149070.db2.gz SMQYTEVXHUOBMW-UHFFFAOYSA-N -1 1 422.481 0.819 20 0 HCADMM CS(=O)(=O)c1cc(S(=O)(=O)[N-]c2cccc(OCC(N)=O)c2)ccc1F ZINC000920311734 1079149025 /nfs/dbraw/zinc/14/90/25/1079149025.db2.gz AVVLZDKUYRRWEK-UHFFFAOYSA-N -1 1 402.425 0.894 20 0 HCADMM CS(=O)(=O)c1cc(S(=O)(=O)[N-]c2cccc(NS(N)(=O)=O)c2)ccc1F ZINC000920312627 1079149010 /nfs/dbraw/zinc/14/90/10/1079149010.db2.gz ARFBMPZLLYIRRF-UHFFFAOYSA-N -1 1 423.469 0.645 20 0 HCADMM Cc1ccc(S(N)(=O)=O)cc1[N-]S(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000920312842 1079149492 /nfs/dbraw/zinc/14/94/92/1079149492.db2.gz NBQIDLYJRVKBMR-UHFFFAOYSA-N -1 1 422.481 0.986 20 0 HCADMM Cc1c([N-]S(=O)(=O)c2ccc(F)c(S(C)(=O)=O)c2)cccc1S(N)(=O)=O ZINC000920313376 1079149466 /nfs/dbraw/zinc/14/94/66/1079149466.db2.gz FCCSTBSDLOSIFI-UHFFFAOYSA-N -1 1 422.481 0.986 20 0 HCADMM CN(C)CC(=O)N1CCN(C(=O)CCn2c(=O)c3ccccc3[n-]c2=S)CC1 ZINC000920446520 1079159313 /nfs/dbraw/zinc/15/93/13/1079159313.db2.gz XUWIEJZXGFARBV-UHFFFAOYSA-N -1 1 403.508 0.308 20 0 HCADMM CCn1c(=O)c2ccc(C(=O)N3CCN(C(=O)CN(C)C)CC3)cc2[n-]c1=S ZINC000920446527 1079159399 /nfs/dbraw/zinc/15/93/99/1079159399.db2.gz XWKUKBLIDVVAIJ-UHFFFAOYSA-N -1 1 403.508 0.551 20 0 HCADMM O=C(c1c([O-])cccc1Cl)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000920455031 1079161905 /nfs/dbraw/zinc/16/19/05/1079161905.db2.gz RPQUOKHYGZNBPH-LLVKDONJSA-N -1 1 422.912 0.320 20 0 HCADMM O=C(c1c([O-])cccc1Cl)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000920455032 1079161970 /nfs/dbraw/zinc/16/19/70/1079161970.db2.gz RPQUOKHYGZNBPH-NSHDSACASA-N -1 1 422.912 0.320 20 0 HCADMM Cn1c(C(=O)OCc2cc(=O)oc3cc([O-])ccc23)cc2c1n(C)c(=O)n(C)c2=O ZINC000920604730 1079188947 /nfs/dbraw/zinc/18/89/47/1079188947.db2.gz DJWDWKMFXDANPR-UHFFFAOYSA-N -1 1 411.370 0.745 20 0 HCADMM COC(=O)C=Cc1cc(OC)c(OC)c(S(=O)(=O)NN=c2nc(OC)cc[n-]2)c1 ZINC000921020336 1079217307 /nfs/dbraw/zinc/21/73/07/1079217307.db2.gz JEDZRGAJWTYLCL-AATRIKPKSA-N -1 1 424.435 0.994 20 0 HCADMM COC(=O)C=Cc1cc(OC)c(OC)c(S(=O)(=O)NN=c2nc(OC)cc[n-]2)c1 ZINC000921020338 1079217385 /nfs/dbraw/zinc/21/73/85/1079217385.db2.gz JEDZRGAJWTYLCL-WAYWQWQTSA-N -1 1 424.435 0.994 20 0 HCADMM CC(=O)N1CSC[C@H]1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000921059141 1079222520 /nfs/dbraw/zinc/22/25/20/1079222520.db2.gz SCMLVMYNJUALEZ-AWEZNQCLSA-N -1 1 415.493 0.273 20 0 HCADMM CC(=O)N1CSC[C@@H]1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1[O-] ZINC000921059142 1079222614 /nfs/dbraw/zinc/22/26/14/1079222614.db2.gz SCMLVMYNJUALEZ-CQSZACIVSA-N -1 1 415.493 0.273 20 0 HCADMM Cn1cc(S(=O)(=O)[N-]C[C@H]2CCCCN2C(=O)OC(C)(C)C)c(=O)n(C)c1=O ZINC000921065685 1079219282 /nfs/dbraw/zinc/21/92/82/1079219282.db2.gz CGEARJNCXTUBBX-GFCCVEGCSA-N -1 1 416.500 0.152 20 0 HCADMM Cn1cc(S(=O)(=O)[N-]C[C@@H]2CCCCN2C(=O)OC(C)(C)C)c(=O)n(C)c1=O ZINC000921065688 1079219340 /nfs/dbraw/zinc/21/93/40/1079219340.db2.gz CGEARJNCXTUBBX-LBPRGKRZSA-N -1 1 416.500 0.152 20 0 HCADMM CNC(=O)CNC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1 ZINC000921241263 1079238899 /nfs/dbraw/zinc/23/88/99/1079238899.db2.gz WCCAQQQNTGYOHR-AWEZNQCLSA-N -1 1 417.491 0.585 20 0 HCADMM CNC(=O)CNC(=O)c1ccc(NC(=O)Cc2sc(N3CCCC3)nc2[O-])cc1 ZINC000921241265 1079239027 /nfs/dbraw/zinc/23/90/27/1079239027.db2.gz WCCAQQQNTGYOHR-CQSZACIVSA-N -1 1 417.491 0.585 20 0 HCADMM COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NN1CC(=O)[N-]C1=O ZINC000921245578 1079239392 /nfs/dbraw/zinc/23/93/92/1079239392.db2.gz LFNIJEBFRZKUGT-UHFFFAOYSA-N -1 1 410.452 0.457 20 0 HCADMM O=C([N-]N1CC(=O)NC1=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000921245785 1079239500 /nfs/dbraw/zinc/23/95/00/1079239500.db2.gz WHMFEOKBFPLWQE-UHFFFAOYSA-N -1 1 400.844 0.711 20 0 HCADMM COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)NN1CC(=O)[N-]C1=O ZINC000921245826 1079239531 /nfs/dbraw/zinc/23/95/31/1079239531.db2.gz XNHHPLUDQXYXLR-UHFFFAOYSA-N -1 1 408.370 0.688 20 0 HCADMM CO[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000941833063 1079016158 /nfs/dbraw/zinc/01/61/58/1079016158.db2.gz AQLWZTNLLKAQAT-LKAFINOVSA-N -1 1 402.451 0.583 20 0 HCADMM CO[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000941834792 1079016119 /nfs/dbraw/zinc/01/61/19/1079016119.db2.gz HHEWGPXFWUEDNF-BDODUSELSA-N -1 1 414.462 0.439 20 0 HCADMM CO[C@@H]1CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000944043657 1079153458 /nfs/dbraw/zinc/15/34/58/1079153458.db2.gz ACQOKTHYWYXVBW-BDODUSELSA-N -1 1 414.462 0.439 20 0 HCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000944145989 1079165293 /nfs/dbraw/zinc/16/52/93/1079165293.db2.gz QNVUKWOHPAZNNL-SSLNLQFTSA-N -1 1 404.423 0.041 20 0 HCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@H]1CCCN1C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000944167207 1079165897 /nfs/dbraw/zinc/16/58/97/1079165897.db2.gz NLVATRRVZNBWPU-SSLNLQFTSA-N -1 1 404.423 0.041 20 0 HCADMM C[C@]12CN(C(=O)c3ncccc3[O-])C[C@H]1CN(C(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)C2 ZINC000992819457 1077375362 /nfs/dbraw/zinc/37/53/62/1077375362.db2.gz JATFTPPYFCYOQX-IKVMQKBBSA-N -1 1 401.463 0.759 20 0 HCADMM C[C@@]12CN(C(=O)c3ncccc3[O-])C[C@@H]1CN(C(=O)[C@@H]1OC[C@@H]3COCC[C@H]13)C2 ZINC000993246621 1077903235 /nfs/dbraw/zinc/90/32/35/1077903235.db2.gz JATFTPPYFCYOQX-INHBRZDYSA-N -1 1 401.463 0.759 20 0 HCADMM Cn1cnc([C@@H]2CN(C(=O)c3ncccc3[O-])C[C@H]2NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1 ZINC000993534680 1078039769 /nfs/dbraw/zinc/03/97/69/1078039769.db2.gz RRHRHYCZXSRJQQ-GLAXIDSPSA-N -1 1 423.473 0.669 20 0 HCADMM Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C[C@H]2NC(=O)c2ncccc2[O-])c1 ZINC000993550949 1078041437 /nfs/dbraw/zinc/04/14/37/1078041437.db2.gz XJQXMRNJDOMQQE-GLAXIDSPSA-N -1 1 423.473 0.669 20 0 HCADMM Cn1cncc1[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000993604872 1078042563 /nfs/dbraw/zinc/04/25/63/1078042563.db2.gz CLIYQDDBDSBUPI-FPVXVSCISA-N -1 1 423.473 0.669 20 0 HCADMM Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1NC(=O)c1ncccc1[O-] ZINC000993617635 1078043456 /nfs/dbraw/zinc/04/34/56/1078043456.db2.gz BDPLRRJVJBXDGD-FPVXVSCISA-N -1 1 423.473 0.669 20 0 HCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C[C@H]1C ZINC000994328948 1078129082 /nfs/dbraw/zinc/12/90/82/1078129082.db2.gz FHZYYLWGYWYZTH-VVHWCZALSA-N -1 1 418.450 0.144 20 0 HCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[C@H](C)C1 ZINC000994368033 1078132336 /nfs/dbraw/zinc/13/23/36/1078132336.db2.gz DSZKAISFYXBGRB-VVHWCZALSA-N -1 1 418.450 0.144 20 0 HCADMM NC(=O)[C@@H]1CC[C@H](CCC(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ncccc2[O-])C3)O1 ZINC000996145912 1079303486 /nfs/dbraw/zinc/30/34/86/1079303486.db2.gz ZBTWKSCIFZZIEC-NJURLYQPSA-N -1 1 402.451 0.462 20 0 HCADMM CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)c2ncccc2[O-])C3)O1 ZINC000996148570 1079303958 /nfs/dbraw/zinc/30/39/58/1079303958.db2.gz WDYUGAIUGDXCLR-VRUQUDLLSA-N -1 1 402.451 0.285 20 0 HCADMM C[C@@H]1OCCO[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnc(C3CC3)[n-]c1=O)C2 ZINC000996497641 1079318421 /nfs/dbraw/zinc/31/84/21/1079318421.db2.gz DGJHDMHMHSGEAF-BWLXKTTOSA-N -1 1 402.451 0.725 20 0 HCADMM O=C(CCn1cc[n-]c(=O)c1=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1C1CCC1)C2 ZINC000996904246 1079395229 /nfs/dbraw/zinc/39/52/29/1079395229.db2.gz TYTRBWRHTLGKMV-ALYAQQCSSA-N -1 1 400.479 0.611 20 0 HCADMM O=C(CCn1cc[n-]c(=O)c1=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@@H]3C=C[C@H]1CC3)C2 ZINC000997036890 1079429893 /nfs/dbraw/zinc/42/98/93/1079429893.db2.gz HQWHSTRMBFDQHG-SUMCQTLJSA-N -1 1 412.490 0.777 20 0 HCADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(=O)n2[n-]cnc2n1)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000997040453 1079430422 /nfs/dbraw/zinc/43/04/22/1079430422.db2.gz MHURNDDWNKPHJJ-FAYXSQRVSA-N -1 1 408.462 0.882 20 0 HCADMM C[C@@H]1OCCO[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000997790049 1080008741 /nfs/dbraw/zinc/00/87/41/1080008741.db2.gz QXCGZOHBZSZKIZ-BWLXKTTOSA-N -1 1 402.451 0.725 20 0 HCADMM CC[C@@H]1CCO[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000997796112 1080009643 /nfs/dbraw/zinc/00/96/43/1080009643.db2.gz FFUMYQMJMQGAJY-JMUUTAKRSA-N -1 1 400.439 0.094 20 0 HCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000998604053 1080084521 /nfs/dbraw/zinc/08/45/21/1080084521.db2.gz LETJELMTALAWGE-KUCLVCMUSA-N -1 1 416.434 0.182 20 0 HCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000998612074 1080084930 /nfs/dbraw/zinc/08/49/30/1080084930.db2.gz XDFDKIZKFBRCIK-DZDPUUJWSA-N -1 1 404.423 0.326 20 0 HCADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1cc(=O)n2[n-]cnc2n1 ZINC000998613470 1080085247 /nfs/dbraw/zinc/08/52/47/1080085247.db2.gz FOPSMTURXGSHCY-FAYXSQRVSA-N -1 1 408.462 0.882 20 0 HCADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)c1cc(=O)n2[n-]cnc2n1 ZINC000998614520 1080085016 /nfs/dbraw/zinc/08/50/16/1080085016.db2.gz KPPOOAADKSEFPE-IGSAJFDYSA-N -1 1 412.450 0.094 20 0 HCADMM CC[C@@H]1CCO[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(=O)n3[n-]cnc3n1)C2 ZINC000998614641 1080085289 /nfs/dbraw/zinc/08/52/89/1080085289.db2.gz LWJUNSZCCWJRBR-JMUUTAKRSA-N -1 1 400.439 0.094 20 0 HCADMM CC[C@@H]1OCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(=O)n3[n-]cnc3n1)C2 ZINC000998614724 1080084990 /nfs/dbraw/zinc/08/49/90/1080084990.db2.gz MPBYQGZNQSDZHL-MUGBGTHKSA-N -1 1 400.439 0.094 20 0 HCADMM CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCn1cc[n-]c(=O)c1=O ZINC000998896134 1080092779 /nfs/dbraw/zinc/09/27/79/1080092779.db2.gz GUISAKLJGJMSSY-SUJAAXHWSA-N -1 1 402.495 0.857 20 0 HCADMM O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(=O)n2[n-]cnc2n1)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC000998916598 1080093281 /nfs/dbraw/zinc/09/32/81/1080093281.db2.gz PVTKFUIBGFFOKI-IGSAJFDYSA-N -1 1 412.450 0.094 20 0 HCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)C2 ZINC000998926712 1080093978 /nfs/dbraw/zinc/09/39/78/1080093978.db2.gz DSMNRNWRABJWTO-KUCLVCMUSA-N -1 1 416.434 0.182 20 0 HCADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1C[C@H]1C(N)=O ZINC000999067124 1080097991 /nfs/dbraw/zinc/09/79/91/1080097991.db2.gz NHMRSXSNKIAQNY-DGTMBMJNSA-N -1 1 401.467 0.597 20 0 HCADMM O=C(C[C@@H]1C[C@H]1C1CC1)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCn1cc[n-]c(=O)c1=O ZINC000999182076 1080107278 /nfs/dbraw/zinc/10/72/78/1080107278.db2.gz RXRPFHWGWLMOFU-QEOTZNIISA-N -1 1 400.479 0.611 20 0 HCADMM CC[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000999218955 1080118059 /nfs/dbraw/zinc/11/80/59/1080118059.db2.gz QZTKXMPQZSIEKO-MUGBGTHKSA-N -1 1 400.439 0.094 20 0 HCADMM C[C@@H]1OCCO[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnc(C3CC3)[n-]c1=O)C2 ZINC001002741785 1080640551 /nfs/dbraw/zinc/64/05/51/1080640551.db2.gz DGJHDMHMHSGEAF-SFBAGDKJSA-N -1 1 402.451 0.725 20 0 HCADMM O=C(CCn1cc[n-]c(=O)c1=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1C1CCC1)C2 ZINC001003060299 1080856471 /nfs/dbraw/zinc/85/64/71/1080856471.db2.gz TYTRBWRHTLGKMV-JJTUDDRGSA-N -1 1 400.479 0.611 20 0 HCADMM O=C(CCn1cc[n-]c(=O)c1=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@@H]3C=C[C@H]1CC3)C2 ZINC001003164572 1080891823 /nfs/dbraw/zinc/89/18/23/1080891823.db2.gz HQWHSTRMBFDQHG-HVKXIDHRSA-N -1 1 412.490 0.777 20 0 HCADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(=O)n2[n-]cnc2n1)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001003173379 1080892521 /nfs/dbraw/zinc/89/25/21/1080892521.db2.gz MHURNDDWNKPHJJ-HJZPKHDNSA-N -1 1 408.462 0.882 20 0 HCADMM C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001003682456 1081080211 /nfs/dbraw/zinc/08/02/11/1081080211.db2.gz QXCGZOHBZSZKIZ-SFBAGDKJSA-N -1 1 402.451 0.725 20 0 HCADMM CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001003691151 1081086250 /nfs/dbraw/zinc/08/62/50/1081086250.db2.gz FFUMYQMJMQGAJY-AIXOIULYSA-N -1 1 400.439 0.094 20 0 HCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001004335772 1081355350 /nfs/dbraw/zinc/35/53/50/1081355350.db2.gz LETJELMTALAWGE-QTXIMBNBSA-N -1 1 416.434 0.182 20 0 HCADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001004338394 1081354517 /nfs/dbraw/zinc/35/45/17/1081354517.db2.gz XDFDKIZKFBRCIK-PTEOKISQSA-N -1 1 404.423 0.326 20 0 HCADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1cc(=O)n2[n-]cnc2n1 ZINC001004346922 1081356314 /nfs/dbraw/zinc/35/63/14/1081356314.db2.gz FOPSMTURXGSHCY-HJZPKHDNSA-N -1 1 408.462 0.882 20 0 HCADMM O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)c1cc(=O)n2[n-]cnc2n1 ZINC001004347530 1081356368 /nfs/dbraw/zinc/35/63/68/1081356368.db2.gz KPPOOAADKSEFPE-GRQVYGQYSA-N -1 1 412.450 0.094 20 0 HCADMM CC[C@@H]1CCO[C@@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(=O)n3[n-]cnc3n1)C2 ZINC001004347805 1081356514 /nfs/dbraw/zinc/35/65/14/1081356514.db2.gz LWJUNSZCCWJRBR-AIXOIULYSA-N -1 1 400.439 0.094 20 0 HCADMM CC[C@@H]1OCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(=O)n3[n-]cnc3n1)C2 ZINC001004347823 1081356436 /nfs/dbraw/zinc/35/64/36/1081356436.db2.gz MPBYQGZNQSDZHL-FPVZYODXSA-N -1 1 400.439 0.094 20 0 HCADMM CSc1nc(C)c(CCC(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c(=O)[n-]1 ZINC001127448625 1078608028 /nfs/dbraw/zinc/60/80/28/1078608028.db2.gz JHNKPORTEXNJOT-PXAZEXFGSA-N -1 1 415.537 0.998 20 0 HCADMM CSc1nc(C)c(CCC(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c(=O)[n-]1 ZINC001127448626 1078608100 /nfs/dbraw/zinc/60/81/00/1078608100.db2.gz JHNKPORTEXNJOT-SJCJKPOMSA-N -1 1 415.537 0.998 20 0 HCADMM CSc1nc(C)c(CCC(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c(=O)[n-]1 ZINC001127448627 1078608208 /nfs/dbraw/zinc/60/82/08/1078608208.db2.gz JHNKPORTEXNJOT-SJKOYZFVSA-N -1 1 415.537 0.998 20 0 HCADMM CSc1nc(C)c(CCC(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c(=O)[n-]1 ZINC001127448628 1078608066 /nfs/dbraw/zinc/60/80/66/1078608066.db2.gz JHNKPORTEXNJOT-YVEFUNNKSA-N -1 1 415.537 0.998 20 0 HCADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC001127620974 1078826412 /nfs/dbraw/zinc/82/64/12/1078826412.db2.gz RLACKSGWHXRAHZ-HNNXBMFYSA-N -1 1 422.482 0.298 20 0 HCADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC001127620975 1078826332 /nfs/dbraw/zinc/82/63/32/1078826332.db2.gz RLACKSGWHXRAHZ-OAHLLOKOSA-N -1 1 422.482 0.298 20 0 HCADMM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCCCCCS(C)(=O)=O ZINC001128291321 1080749546 /nfs/dbraw/zinc/74/95/46/1080749546.db2.gz NLUNBBXMCFJAAM-UHFFFAOYSA-N -1 1 414.528 0.591 20 0 HCADMM CCN1C(=O)c2ccc(C(=O)NCc3cc(=O)[n-]c(SC)n3)cc2S1(=O)=O ZINC001143613486 1079011396 /nfs/dbraw/zinc/01/13/96/1079011396.db2.gz RQVDAXRLUYDVPY-UHFFFAOYSA-N -1 1 408.461 0.999 20 0 HCADMM COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1nc(C)cc2c1C(=O)[N-]C2=O ZINC001164706564 719866443 /nfs/dbraw/zinc/86/64/43/719866443.db2.gz PXBXKVWPKJTORQ-RBZFPXEDSA-N -1 1 402.451 0.506 20 0 HCADMM COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1nc(C)cc2c1C(=O)[N-]C2=O ZINC001164706567 719866343 /nfs/dbraw/zinc/86/63/43/719866343.db2.gz PXBXKVWPKJTORQ-RNODOKPDSA-N -1 1 402.451 0.506 20 0 HCADMM COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1nc(C)cc2c1C(=O)[N-]C2=O ZINC001164706569 719866515 /nfs/dbraw/zinc/86/65/15/719866515.db2.gz PXBXKVWPKJTORQ-XCLFUZPHSA-N -1 1 402.451 0.506 20 0 HCADMM COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1nc(C)cc2c1C(=O)[N-]C2=O ZINC001164706573 719866391 /nfs/dbraw/zinc/86/63/91/719866391.db2.gz PXBXKVWPKJTORQ-ZUOKHONESA-N -1 1 402.451 0.506 20 0 HCADMM CC(=O)[N-]S(=O)(=O)c1ccc(N2CCc3ncc(CN4CCCC4)n3CC2)nc1 ZINC001164737016 720588921 /nfs/dbraw/zinc/58/89/21/720588921.db2.gz YNSMNKQPODLHMN-UHFFFAOYSA-N -1 1 418.523 0.761 20 0 HCADMM Cc1cc2c(c(N3CCC4(CC3)COCCN4Cc3ccn(C)n3)n1)C(=O)[N-]C2=O ZINC001164935621 721907782 /nfs/dbraw/zinc/90/77/82/721907782.db2.gz GUTLKRYWDGCQIK-UHFFFAOYSA-N -1 1 410.478 0.879 20 0 HCADMM CC(=O)[N-]S(=O)(=O)c1ccc(N2CCCC23CCN(CC(=O)N(C)C)CC3)nc1 ZINC001165013126 721748255 /nfs/dbraw/zinc/74/82/55/721748255.db2.gz VDJHIPQCPOZABQ-UHFFFAOYSA-N -1 1 423.539 0.429 20 0 HCADMM COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NCc2nc([O-])cc(=O)[nH]2)c(OC)c1 ZINC001168431707 1075418188 /nfs/dbraw/zinc/41/81/88/1075418188.db2.gz YTJJECXJDZDQCF-CYBMUJFWSA-N -1 1 402.407 0.826 20 0 HCADMM COc1ccc(C(=O)N2CCC[C@H]2C(=O)NCc2nc([O-])cc(=O)[nH]2)c(OC)c1 ZINC001168431708 1075418237 /nfs/dbraw/zinc/41/82/37/1075418237.db2.gz YTJJECXJDZDQCF-ZDUSSCGKSA-N -1 1 402.407 0.826 20 0 HCADMM CSc1ncc(C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)c(=O)[n-]1 ZINC001168504546 1078024269 /nfs/dbraw/zinc/02/42/69/1078024269.db2.gz KBBWOKIVLPPELH-UHFFFAOYSA-N -1 1 409.493 0.514 20 0 HCADMM COC(OC)c1c(C[N@H+]2CC[C@@H](CO)C2)ccnc1NCCOP(=O)([O-])[O-] ZINC001168588118 1079931960 /nfs/dbraw/zinc/93/19/60/1079931960.db2.gz ZDLHOPGKODMTLQ-GFCCVEGCSA-N -1 1 405.388 0.708 20 0 HCADMM COC(OC)c1c(C[N@H+]2CC[C@H](CO)C2)ccnc1NCCOP(=O)([O-])[O-] ZINC001168588122 1079934875 /nfs/dbraw/zinc/93/48/75/1079934875.db2.gz ZDLHOPGKODMTLQ-LBPRGKRZSA-N -1 1 405.388 0.708 20 0 HCADMM CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)C1=O ZINC001168694568 1080549122 /nfs/dbraw/zinc/54/91/22/1080549122.db2.gz OCOSVCCZHXUVQF-GDBMZVCRSA-N -1 1 414.466 0.986 20 0 HCADMM CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)N[C@@H](c2nn[n-]n2)c2ccccc2)C1=O ZINC001168694569 1080549323 /nfs/dbraw/zinc/54/93/23/1080549323.db2.gz OCOSVCCZHXUVQF-GOEBONIOSA-N -1 1 414.466 0.986 20 0 HCADMM CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)C1=O ZINC001168694571 1080549155 /nfs/dbraw/zinc/54/91/55/1080549155.db2.gz OCOSVCCZHXUVQF-HOCLYGCPSA-N -1 1 414.466 0.986 20 0 HCADMM CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)N[C@H](c2nn[n-]n2)c2ccccc2)C1=O ZINC001168694573 1080549240 /nfs/dbraw/zinc/54/92/40/1080549240.db2.gz OCOSVCCZHXUVQF-ZBFHGGJFSA-N -1 1 414.466 0.986 20 0 HCADMM Cc1ccc(Br)c(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC001212191764 1074161145 /nfs/dbraw/zinc/16/11/45/1074161145.db2.gz XOITWPQVOMJELA-UHFFFAOYSA-N -1 1 402.270 0.633 20 0 HCADMM COC(=O)c1cc(S(=O)(=O)[N-]CC(=O)N(C)OC)c(F)cc1Br ZINC001212209941 1078011802 /nfs/dbraw/zinc/01/18/02/1078011802.db2.gz APNDPMQEHVACLO-UHFFFAOYSA-N -1 1 413.221 0.673 20 0 HCADMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]CC(=O)N=S(C)(C)=O)c1F ZINC001212217375 1078172780 /nfs/dbraw/zinc/17/27/80/1078172780.db2.gz VBQLXGJTYGQNAU-UHFFFAOYSA-N -1 1 400.837 0.798 20 0 HCADMM CC(C)[C@H](C[N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C)ONC(=O)OC(C)(C)C ZINC001212225893 1078230785 /nfs/dbraw/zinc/23/07/85/1078230785.db2.gz CYOMZIHGDKKTFQ-APXPCNQMSA-N -1 1 402.539 0.876 20 0 HCADMM CC(C)[C@H](C[N-]S(=O)(=O)N=[S@](C)(=O)N(C)C)ONC(=O)OC(C)(C)C ZINC001212225897 1078230726 /nfs/dbraw/zinc/23/07/26/1078230726.db2.gz CYOMZIHGDKKTFQ-BUBHHJDNSA-N -1 1 402.539 0.876 20 0 HCADMM CC(C)[C@@H](C[N-]S(=O)(=O)N=[S@](C)(=O)N(C)C)ONC(=O)OC(C)(C)C ZINC001212225898 1078230901 /nfs/dbraw/zinc/23/09/01/1078230901.db2.gz CYOMZIHGDKKTFQ-JNDILOIQSA-N -1 1 402.539 0.876 20 0 HCADMM CC(C)[C@@H](C[N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C)ONC(=O)OC(C)(C)C ZINC001212225900 1078230760 /nfs/dbraw/zinc/23/07/60/1078230760.db2.gz CYOMZIHGDKKTFQ-YDGUKXNOSA-N -1 1 402.539 0.876 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H](C(=O)NC)C2)c(OC)c1 ZINC001212235775 1078558458 /nfs/dbraw/zinc/55/84/58/1078558458.db2.gz IZOBLLFWTKOYNG-GFCCVEGCSA-N -1 1 419.525 0.604 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H](C(=O)NC)C2)c(OC)c1 ZINC001212235779 1078558960 /nfs/dbraw/zinc/55/89/60/1078558960.db2.gz IZOBLLFWTKOYNG-LBPRGKRZSA-N -1 1 419.525 0.604 20 0 HCADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](C1CCOCC1)C1(CO)CCC1 ZINC001212259727 1079276075 /nfs/dbraw/zinc/27/60/75/1079276075.db2.gz UBRZIDWBSJCVOW-AWEZNQCLSA-N -1 1 401.485 0.823 20 0 HCADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](C1CCOCC1)C1(CO)CCC1 ZINC001212259728 1079275872 /nfs/dbraw/zinc/27/58/72/1079275872.db2.gz UBRZIDWBSJCVOW-CQSZACIVSA-N -1 1 401.485 0.823 20 0 HCADMM O=S(=O)([N-]C[C@@H]1CS(=O)(=O)c2ccccc2O1)c1nc[nH]c1Br ZINC001212267470 1078644965 /nfs/dbraw/zinc/64/49/65/1078644965.db2.gz XFVDNUPSJXEOSN-MRVPVSSYSA-N -1 1 422.282 0.685 20 0 HCADMM O=S(=O)([N-]C[C@H]1CS(=O)(=O)c2ccccc2O1)c1nc[nH]c1Br ZINC001212267471 1078644888 /nfs/dbraw/zinc/64/48/88/1078644888.db2.gz XFVDNUPSJXEOSN-QMMMGPOBSA-N -1 1 422.282 0.685 20 0 HCADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O)c1ccnn1C ZINC001212288831 1078799071 /nfs/dbraw/zinc/79/90/71/1078799071.db2.gz JZTQYKSZMSLYAK-KRWDZBQOSA-N -1 1 406.464 0.912 20 0 HCADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O)c1ccnn1C ZINC001212288832 1078799138 /nfs/dbraw/zinc/79/91/38/1078799138.db2.gz JZTQYKSZMSLYAK-QGZVFWFLSA-N -1 1 406.464 0.912 20 0 HCADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(C)=O)c1ccnn1C ZINC001212288911 1078799655 /nfs/dbraw/zinc/79/96/55/1078799655.db2.gz MAEJPSKHQLHGFA-APPDUMDISA-N -1 1 406.464 0.910 20 0 HCADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(C)=O)c1ccnn1C ZINC001212288912 1078799529 /nfs/dbraw/zinc/79/95/29/1078799529.db2.gz MAEJPSKHQLHGFA-DIFFPNOSSA-N -1 1 406.464 0.910 20 0 HCADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(C)=O)c1ccnn1C ZINC001212288913 1078799673 /nfs/dbraw/zinc/79/96/73/1078799673.db2.gz MAEJPSKHQLHGFA-GTNSWQLSSA-N -1 1 406.464 0.910 20 0 HCADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(C)=O)c1ccnn1C ZINC001212288914 1078799717 /nfs/dbraw/zinc/79/97/17/1078799717.db2.gz MAEJPSKHQLHGFA-PIGZYNQJSA-N -1 1 406.464 0.910 20 0 HCADMM COC(=O)[C@H]([N-]S(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1)c1ccnn1C ZINC001212289089 1078800105 /nfs/dbraw/zinc/80/01/05/1078800105.db2.gz RWOIEYVCGIYCSX-GDBMZVCRSA-N -1 1 412.512 0.735 20 0 HCADMM COC(=O)[C@H]([N-]S(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1)c1ccnn1C ZINC001212289090 1078800116 /nfs/dbraw/zinc/80/01/16/1078800116.db2.gz RWOIEYVCGIYCSX-GOEBONIOSA-N -1 1 412.512 0.735 20 0 HCADMM COC(=O)[C@@H]([N-]S(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1)c1ccnn1C ZINC001212289091 1078800173 /nfs/dbraw/zinc/80/01/73/1078800173.db2.gz RWOIEYVCGIYCSX-HOCLYGCPSA-N -1 1 412.512 0.735 20 0 HCADMM COC(=O)[C@@H]([N-]S(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1)c1ccnn1C ZINC001212289092 1078800126 /nfs/dbraw/zinc/80/01/26/1078800126.db2.gz RWOIEYVCGIYCSX-ZBFHGGJFSA-N -1 1 412.512 0.735 20 0 HCADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(OCC(F)(F)F)nc1)c1ccnn1C ZINC001212289099 1078800080 /nfs/dbraw/zinc/80/00/80/1078800080.db2.gz SBYAGDBFVYIWEB-GFCCVEGCSA-N -1 1 408.358 0.949 20 0 HCADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(OCC(F)(F)F)nc1)c1ccnn1C ZINC001212289100 1078800043 /nfs/dbraw/zinc/80/00/43/1078800043.db2.gz SBYAGDBFVYIWEB-LBPRGKRZSA-N -1 1 408.358 0.949 20 0 HCADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(OCC(=O)NC2CC2)cc1)c1ccnn1C ZINC001212289398 1078802474 /nfs/dbraw/zinc/80/24/74/1078802474.db2.gz ZABQJESBMBBMKE-KRWDZBQOSA-N -1 1 422.463 0.270 20 0 HCADMM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(OCC(=O)NC2CC2)cc1)c1ccnn1C ZINC001212289400 1078802466 /nfs/dbraw/zinc/80/24/66/1078802466.db2.gz ZABQJESBMBBMKE-QGZVFWFLSA-N -1 1 422.463 0.270 20 0 HCADMM CCN(OC)C(=O)C[N-]S(=O)(=O)c1c(OC)nn2cc(Br)cnc12 ZINC001212294653 1078811636 /nfs/dbraw/zinc/81/16/36/1078811636.db2.gz LFRZGDSCSIDZQK-UHFFFAOYSA-N -1 1 422.261 0.189 20 0 HCADMM COC(=O)c1oc(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)N2CCOCC2)cc1C ZINC001212294821 1078811653 /nfs/dbraw/zinc/81/16/53/1078811653.db2.gz PLVMOSUSAXERII-ZDUSSCGKSA-N -1 1 402.469 0.926 20 0 HCADMM CN1CC[C@@H](N2CCC([N-]S(=O)(=O)c3ncccc3Br)CC2)C1=O ZINC001212309720 1078818201 /nfs/dbraw/zinc/81/82/01/1078818201.db2.gz VSPPZIIXECOQMH-CYBMUJFWSA-N -1 1 417.329 0.818 20 0 HCADMM CN1CC[C@H](N2CCC([N-]S(=O)(=O)c3ncccc3Br)CC2)C1=O ZINC001212309721 1078818307 /nfs/dbraw/zinc/81/83/07/1078818307.db2.gz VSPPZIIXECOQMH-ZDUSSCGKSA-N -1 1 417.329 0.818 20 0 HCADMM NC(=O)[C@@]1([N-]S(=O)(=O)Cc2cc3c(cc2Br)OCO3)CCOC1 ZINC001212316326 1078820601 /nfs/dbraw/zinc/82/06/01/1078820601.db2.gz AVYRRIAKNDGMAV-CYBMUJFWSA-N -1 1 407.242 0.242 20 0 HCADMM NC(=O)[C@]1([N-]S(=O)(=O)Cc2cc3c(cc2Br)OCO3)CCOC1 ZINC001212316327 1078820975 /nfs/dbraw/zinc/82/09/75/1078820975.db2.gz AVYRRIAKNDGMAV-ZDUSSCGKSA-N -1 1 407.242 0.242 20 0 HCADMM CC(C)(C)n1nnc(C[N-]S(=O)(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)n1 ZINC001212326181 1078825661 /nfs/dbraw/zinc/82/56/61/1078825661.db2.gz ACGKUAMRMFBLLN-UHFFFAOYSA-N -1 1 407.905 0.964 20 0 HCADMM CC(C)(C)n1nnc(C[N-]S(=O)(=O)c2cc(Br)cc(C(N)=O)c2)n1 ZINC001212326749 1078825017 /nfs/dbraw/zinc/82/50/17/1078825017.db2.gz SPFSQMZLEYCKPZ-UHFFFAOYSA-N -1 1 417.289 0.768 20 0 HCADMM O=c1[nH]c2cc(Br)c(S(=O)(=O)[N-]CCn3cnnn3)c(Cl)c2o1 ZINC001212362501 1079838880 /nfs/dbraw/zinc/83/88/80/1079838880.db2.gz FWZWFMCXVPFSPR-UHFFFAOYSA-N -1 1 423.636 0.914 20 0 HCADMM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCN(S(C)(=O)=O)C2)c(F)cc1Cl ZINC001212367171 1079879083 /nfs/dbraw/zinc/87/90/83/1079879083.db2.gz FBTDVHURWGALGF-MRVPVSSYSA-N -1 1 414.864 0.578 20 0 HCADMM COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCN(S(C)(=O)=O)C2)c(F)cc1Cl ZINC001212367172 1079879133 /nfs/dbraw/zinc/87/91/33/1079879133.db2.gz FBTDVHURWGALGF-QMMMGPOBSA-N -1 1 414.864 0.578 20 0 HCADMM Cn1ccnc1[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC001212370815 1079891044 /nfs/dbraw/zinc/89/10/44/1079891044.db2.gz SZUYTTOIQJJEQZ-AWEZNQCLSA-N -1 1 403.464 0.080 20 0 HCADMM Cn1ccnc1[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC001212370818 1079891066 /nfs/dbraw/zinc/89/10/66/1079891066.db2.gz SZUYTTOIQJJEQZ-CQSZACIVSA-N -1 1 403.464 0.080 20 0 HCADMM CCO[N-]C(=O)CNS(=O)(=O)c1sc(C(=O)OC)cc1Br ZINC001212383906 1080027031 /nfs/dbraw/zinc/02/70/31/1080027031.db2.gz JAMCJJQSWSLPAC-UHFFFAOYSA-N -1 1 401.260 0.643 20 0 HCADMM Nc1[nH+]cccc1Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)([O-])[O-])O1 ZINC001212393983 1080057710 /nfs/dbraw/zinc/05/77/10/1080057710.db2.gz VESQFORMGGQXDQ-HBNTYKKESA-N -1 1 423.326 0.305 20 0 HCADMM CCCOC(=O)C[C@@H](C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CC(C)C ZINC001212406708 1080087166 /nfs/dbraw/zinc/08/71/66/1080087166.db2.gz DDNXNMAWOJSZMN-ZDUSSCGKSA-N -1 1 403.501 0.368 20 0 HCADMM COCc1nnc2n1CCN(S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C2 ZINC001212410953 1080097290 /nfs/dbraw/zinc/09/72/90/1080097290.db2.gz NMDUVSJVKWBIIT-UHFFFAOYSA-N -1 1 419.460 0.140 20 0 HCADMM O=S(=O)(CC[N-]S(=O)(=O)c1nc[nH]c1Br)CC(F)(F)F ZINC001212422676 1080186417 /nfs/dbraw/zinc/18/64/17/1080186417.db2.gz BUKBIEOSIXOSMS-UHFFFAOYSA-N -1 1 400.198 0.428 20 0 HCADMM Cn1cc(S(=O)(=O)[N-]CCS(=O)(=O)CC(F)(F)F)c(C(F)(F)F)n1 ZINC001212423437 1080188401 /nfs/dbraw/zinc/18/84/01/1080188401.db2.gz MQKONZLGOLVZCU-UHFFFAOYSA-N -1 1 403.326 0.694 20 0 HCADMM COC(=O)c1cc(S(=O)(=O)N(CCN2CCOCC2)[C@@H]2CCSC2)n[n-]1 ZINC001212450185 1080590427 /nfs/dbraw/zinc/59/04/27/1080590427.db2.gz KURIOVFFIRELFH-GFCCVEGCSA-N -1 1 404.514 0.025 20 0 HCADMM COC(=O)c1cc(S(=O)(=O)N(CCN2CCOCC2)[C@@H]2CCSC2)[n-]n1 ZINC001212450185 1080590419 /nfs/dbraw/zinc/59/04/19/1080590419.db2.gz KURIOVFFIRELFH-GFCCVEGCSA-N -1 1 404.514 0.025 20 0 HCADMM COC(=O)c1cc(S(=O)(=O)N(CCN2CCOCC2)[C@H]2CCSC2)n[n-]1 ZINC001212450186 1080590336 /nfs/dbraw/zinc/59/03/36/1080590336.db2.gz KURIOVFFIRELFH-LBPRGKRZSA-N -1 1 404.514 0.025 20 0 HCADMM COC(=O)c1cc(S(=O)(=O)N(CCN2CCOCC2)[C@H]2CCSC2)[n-]n1 ZINC001212450186 1080590328 /nfs/dbraw/zinc/59/03/28/1080590328.db2.gz KURIOVFFIRELFH-LBPRGKRZSA-N -1 1 404.514 0.025 20 0 HCADMM CCOC(=O)c1n[n-]c([C@H](C)NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)n1 ZINC001212458372 1080636995 /nfs/dbraw/zinc/63/69/95/1080636995.db2.gz YPMARLIMBFPXGB-JTQLQIEISA-N -1 1 407.452 0.930 20 0 HCADMM CCOC(=O)c1nnc([C@H](C)NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)[n-]1 ZINC001212458372 1080636991 /nfs/dbraw/zinc/63/69/91/1080636991.db2.gz YPMARLIMBFPXGB-JTQLQIEISA-N -1 1 407.452 0.930 20 0 HCADMM CCOC(=O)c1nc([C@H](C)NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)n[n-]1 ZINC001212458372 1080636987 /nfs/dbraw/zinc/63/69/87/1080636987.db2.gz YPMARLIMBFPXGB-JTQLQIEISA-N -1 1 407.452 0.930 20 0 HCADMM CCOC(=O)c1n[n-]c([C@@H](C)NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)n1 ZINC001212458373 1080636869 /nfs/dbraw/zinc/63/68/69/1080636869.db2.gz YPMARLIMBFPXGB-SNVBAGLBSA-N -1 1 407.452 0.930 20 0 HCADMM CCOC(=O)c1nnc([C@@H](C)NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)[n-]1 ZINC001212458373 1080636867 /nfs/dbraw/zinc/63/68/67/1080636867.db2.gz YPMARLIMBFPXGB-SNVBAGLBSA-N -1 1 407.452 0.930 20 0 HCADMM CCOC(=O)c1nc([C@@H](C)NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)n[n-]1 ZINC001212458373 1080636864 /nfs/dbraw/zinc/63/68/64/1080636864.db2.gz YPMARLIMBFPXGB-SNVBAGLBSA-N -1 1 407.452 0.930 20 0 HCADMM CO[C@@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)c1ccc(F)c(Br)c1F ZINC001212459668 1080650064 /nfs/dbraw/zinc/65/00/64/1080650064.db2.gz IVVCPMQVAHOKRA-HTQZYQBOSA-N -1 1 420.253 0.818 20 0 HCADMM CO[C@@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(Br)c1F ZINC001212459669 1080650212 /nfs/dbraw/zinc/65/02/12/1080650212.db2.gz IVVCPMQVAHOKRA-JGVFFNPUSA-N -1 1 420.253 0.818 20 0 HCADMM CO[C@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)c1ccc(F)c(Br)c1F ZINC001212459670 1080650190 /nfs/dbraw/zinc/65/01/90/1080650190.db2.gz IVVCPMQVAHOKRA-SFYZADRCSA-N -1 1 420.253 0.818 20 0 HCADMM CO[C@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(Br)c1F ZINC001212459671 1080650079 /nfs/dbraw/zinc/65/00/79/1080650079.db2.gz IVVCPMQVAHOKRA-YUMQZZPRSA-N -1 1 420.253 0.818 20 0 HCADMM CO[C@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)Cc1cc(F)ccc1Br ZINC001212460809 1080662046 /nfs/dbraw/zinc/66/20/46/1080662046.db2.gz RCWDGTJVWCLEBM-NEPJUHHUSA-N -1 1 416.290 0.820 20 0 HCADMM CO[C@@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)Cc1cc(F)ccc1Br ZINC001212460811 1080661909 /nfs/dbraw/zinc/66/19/09/1080661909.db2.gz RCWDGTJVWCLEBM-NWDGAFQWSA-N -1 1 416.290 0.820 20 0 HCADMM CO[C@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)Cc1cc(F)ccc1Br ZINC001212460812 1080661832 /nfs/dbraw/zinc/66/18/32/1080661832.db2.gz RCWDGTJVWCLEBM-RYUDHWBXSA-N -1 1 416.290 0.820 20 0 HCADMM CO[C@@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)Cc1cc(F)ccc1Br ZINC001212460813 1080661977 /nfs/dbraw/zinc/66/19/77/1080661977.db2.gz RCWDGTJVWCLEBM-VXGBXAGGSA-N -1 1 416.290 0.820 20 0 HCADMM CO[C@@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC001212461297 1080660545 /nfs/dbraw/zinc/66/05/45/1080660545.db2.gz VMSMLJAECAXGDM-HTQZYQBOSA-N -1 1 419.706 0.588 20 0 HCADMM CO[C@@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC001212461298 1080660500 /nfs/dbraw/zinc/66/05/00/1080660500.db2.gz VMSMLJAECAXGDM-JGVFFNPUSA-N -1 1 419.706 0.588 20 0 HCADMM CO[C@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC001212461299 1080660562 /nfs/dbraw/zinc/66/05/62/1080660562.db2.gz VMSMLJAECAXGDM-SFYZADRCSA-N -1 1 419.706 0.588 20 0 HCADMM CO[C@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)c1cc(Br)cnc1Cl ZINC001212461300 1080660612 /nfs/dbraw/zinc/66/06/12/1080660612.db2.gz VMSMLJAECAXGDM-YUMQZZPRSA-N -1 1 419.706 0.588 20 0 HCADMM Cc1nc(S(=O)(=O)[N-]CCC2(CS(C)(=O)=O)CC2)c(Br)n1C ZINC001212480007 1080793181 /nfs/dbraw/zinc/79/31/81/1080793181.db2.gz CQCKPCKPPNLIHG-UHFFFAOYSA-N -1 1 414.347 0.984 20 0 HCADMM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC(CO)(CO)C2)c(OC)c1 ZINC001212489986 1080837249 /nfs/dbraw/zinc/83/72/49/1080837249.db2.gz CDEJKCKZMBQSDS-UHFFFAOYSA-N -1 1 422.525 0.212 20 0 HCADMM NC(=O)c1cc(S(=O)(=O)[N-]C[C@@H](O)[C@H]2CCCO2)c(F)cc1Br ZINC001212502838 1080893015 /nfs/dbraw/zinc/89/30/15/1080893015.db2.gz YNRVFEWUCSNJSW-GHMZBOCLSA-N -1 1 411.249 0.505 20 0 HCADMM NC(=O)c1cc(S(=O)(=O)[N-]C[C@@H](O)[C@@H]2CCCO2)c(F)cc1Br ZINC001212502839 1080893049 /nfs/dbraw/zinc/89/30/49/1080893049.db2.gz YNRVFEWUCSNJSW-MNOVXSKESA-N -1 1 411.249 0.505 20 0 HCADMM NC(=O)c1cc(S(=O)(=O)[N-]C[C@H](O)[C@@H]2CCCO2)c(F)cc1Br ZINC001212502940 1080893095 /nfs/dbraw/zinc/89/30/95/1080893095.db2.gz YNRVFEWUCSNJSW-QWRGUYRKSA-N -1 1 411.249 0.505 20 0 HCADMM NC(=O)c1cc(S(=O)(=O)[N-]C[C@H](O)[C@H]2CCCO2)c(F)cc1Br ZINC001212502941 1080893041 /nfs/dbraw/zinc/89/30/41/1080893041.db2.gz YNRVFEWUCSNJSW-WDEREUQCSA-N -1 1 411.249 0.505 20 0 HCADMM CCOC(=O)c1c[n-]c(NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)n1 ZINC001272342016 1075761050 /nfs/dbraw/zinc/76/10/50/1075761050.db2.gz KKOWVTUSGSBHTH-UHFFFAOYSA-N -1 1 408.436 0.860 20 0 HCADMM NS(=O)(=O)C1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)C1 ZINC001299235393 1079239648 /nfs/dbraw/zinc/23/96/48/1079239648.db2.gz SPVHJFDWIHBDLV-UHFFFAOYSA-N -1 1 413.452 0.739 20 0 HCADMM CSc1ncc(C(=O)N(C)CCOc2ccc(S(N)(=O)=O)cc2F)c(=O)[n-]1 ZINC001299258500 1079261804 /nfs/dbraw/zinc/26/18/04/1079261804.db2.gz GXKPNVWZJRZJAC-UHFFFAOYSA-N -1 1 416.456 0.842 20 0 HCADMM CN(CCOCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)Cc1cc(=O)n2[n-]ccc2n1 ZINC001485774114 1078881948 /nfs/dbraw/zinc/88/19/48/1078881948.db2.gz GBVWVHDHESHBHB-LCEIHVTHSA-N -1 1 401.467 0.011 20 0 HCADMM O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001626042334 1079610267 /nfs/dbraw/zinc/61/02/67/1079610267.db2.gz WSDZROYSPGALIS-UHFFFAOYSA-N -1 1 420.495 0.498 20 0 HCADMM COc1cc(OC)cc(N2C[C@H](C(=O)N3CCC(O)(c4nn[n-]n4)CC3)CC2=O)c1 ZINC001626046547 1079709335 /nfs/dbraw/zinc/70/93/35/1079709335.db2.gz CXRPZNNKQPMACI-GFCCVEGCSA-N -1 1 416.438 0.080 20 0 HCADMM COc1cc(OC)cc(N2C[C@@H](C(=O)N3CCC(O)(c4nn[n-]n4)CC3)CC2=O)c1 ZINC001626046548 1079709907 /nfs/dbraw/zinc/70/99/07/1079709907.db2.gz CXRPZNNKQPMACI-LBPRGKRZSA-N -1 1 416.438 0.080 20 0 HCADMM Cn1nc2cc(Br)ccc2c1C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001626046761 1079713986 /nfs/dbraw/zinc/71/39/86/1079713986.db2.gz MIIDOBJVIRSTPD-UHFFFAOYSA-N -1 1 406.244 0.973 20 0 HCADMM CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@H]1C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001626047003 1079719646 /nfs/dbraw/zinc/71/96/46/1079719646.db2.gz VIOCGXVJSHUTOM-CYBMUJFWSA-N -1 1 422.486 0.426 20 0 HCADMM CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@@H]1C(=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001626047004 1079719669 /nfs/dbraw/zinc/71/96/69/1079719669.db2.gz VIOCGXVJSHUTOM-ZDUSSCGKSA-N -1 1 422.486 0.426 20 0 HCADMM O=C(c1ccccc1S(=O)(=O)N1CCCCC1)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001626047007 1079715658 /nfs/dbraw/zinc/71/56/58/1079715658.db2.gz VNYZEMLBNGCVPO-UHFFFAOYSA-N -1 1 420.495 0.498 20 0 HCADMM O=C(CC1(CC(=O)N2CCC(O)(c3nn[n-]n3)CC2)CCCC1)N1CCOCC1 ZINC001626047077 1079721656 /nfs/dbraw/zinc/72/16/56/1079721656.db2.gz YAYYKEUNSZFKFF-UHFFFAOYSA-N -1 1 406.487 0.209 20 0 HCADMM C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)c1cc(F)ccc1N(C)C ZINC001649022653 1078018613 /nfs/dbraw/zinc/01/86/13/1078018613.db2.gz LOJRIJNTXCZVFL-JTQLQIEISA-N -1 1 412.443 0.739 20 0 HCADMM C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)c1cc(F)ccc1N(C)C ZINC001649022656 1078018547 /nfs/dbraw/zinc/01/85/47/1078018547.db2.gz LOJRIJNTXCZVFL-SNVBAGLBSA-N -1 1 412.443 0.739 20 0 HCADMM O=C(CCn1cc[n-]c(=O)c1=O)NCc1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC001649029099 1078054468 /nfs/dbraw/zinc/05/44/68/1078054468.db2.gz HDEOKUKTFKOYNN-UHFFFAOYSA-N -1 1 405.354 0.537 20 0 HCADMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)Nc1ccn(CCN2CC[NH+]=C2[O-])n1 ZINC001649076602 1079942027 /nfs/dbraw/zinc/94/20/27/1079942027.db2.gz ZDUBZUILZZEIRN-UHFFFAOYSA-N -1 1 412.454 0.845 20 0 HCADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)o1 ZINC001649081385 1079968394 /nfs/dbraw/zinc/96/83/94/1079968394.db2.gz OSNIBYHGAZXANS-UHFFFAOYSA-N -1 1 406.420 0.170 20 0 HCADMM CCOC(=O)[C@]1(C)CN(C(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)CCO1 ZINC001649116914 1080072972 /nfs/dbraw/zinc/07/29/72/1080072972.db2.gz QXABFKPOMOCOJK-FQEVSTJZSA-N -1 1 422.482 0.440 20 0 HCADMM CCOC(=O)[C@@]1(C)CN(C(=O)CCc2c(C)nc(N3CCOCC3)[n-]c2=O)CCO1 ZINC001649116915 1080072866 /nfs/dbraw/zinc/07/28/66/1080072866.db2.gz QXABFKPOMOCOJK-HXUWFJFHSA-N -1 1 422.482 0.440 20 0 HCADMM COc1nn2cc(Br)cnc2c1S(=O)(=O)[N-]C[C@H]1COCCN1C ZINC001670916193 1080019198 /nfs/dbraw/zinc/01/91/98/1080019198.db2.gz GSNVULDQFFWMBK-JTQLQIEISA-N -1 1 420.289 0.109 20 0 HCADMM COc1nn2cc(Br)cnc2c1S(=O)(=O)[N-]C[C@@H]1COCCN1C ZINC001670916195 1080019413 /nfs/dbraw/zinc/01/94/13/1080019413.db2.gz GSNVULDQFFWMBK-SNVBAGLBSA-N -1 1 420.289 0.109 20 0 HCADMM COC(=O)c1cc(S(=O)(=O)NC[C@H]2CN(Cc3ccc(C)cc3)CCO2)n[n-]1 ZINC001670992786 1080062227 /nfs/dbraw/zinc/06/22/27/1080062227.db2.gz APXHCXYWSJRRBG-HNNXBMFYSA-N -1 1 408.480 0.684 20 0 HCADMM COC(=O)c1cc(S(=O)(=O)NC[C@H]2CN(Cc3ccc(C)cc3)CCO2)[n-]n1 ZINC001670992786 1080062216 /nfs/dbraw/zinc/06/22/16/1080062216.db2.gz APXHCXYWSJRRBG-HNNXBMFYSA-N -1 1 408.480 0.684 20 0 HCADMM COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CN(Cc3ccc(C)cc3)CCO2)n[n-]1 ZINC001670992787 1080062027 /nfs/dbraw/zinc/06/20/27/1080062027.db2.gz APXHCXYWSJRRBG-OAHLLOKOSA-N -1 1 408.480 0.684 20 0 HCADMM COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CN(Cc3ccc(C)cc3)CCO2)[n-]n1 ZINC001670992787 1080062016 /nfs/dbraw/zinc/06/20/16/1080062016.db2.gz APXHCXYWSJRRBG-OAHLLOKOSA-N -1 1 408.480 0.684 20 0 HCADMM CCCCCCn1cc(S(=O)(=O)[N-]C[C@H]2CCO[C@H]2C(=O)OC)c(=O)[nH]c1=O ZINC001670993440 1080062569 /nfs/dbraw/zinc/06/25/69/1080062569.db2.gz OPEPAGSGNPAQLU-TZMCWYRMSA-N -1 1 417.484 0.386 20 0 HCADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001671005464 1080070102 /nfs/dbraw/zinc/07/01/02/1080070102.db2.gz GPHUNIWYVQUDEY-JTQLQIEISA-N -1 1 401.466 0.682 20 0 HCADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001671005465 1080070245 /nfs/dbraw/zinc/07/02/45/1080070245.db2.gz GPHUNIWYVQUDEY-SNVBAGLBSA-N -1 1 401.466 0.682 20 0 HCADMM COC(=O)[C@@H](CCC1OCCO1)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC001671025553 1080080029 /nfs/dbraw/zinc/08/00/29/1080080029.db2.gz UOSLKQBWIBYDPY-MRVPVSSYSA-N -1 1 401.363 0.412 20 0 HCADMM COC(=O)[C@H](CCC1OCCO1)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC001671025555 1080079905 /nfs/dbraw/zinc/07/99/05/1080079905.db2.gz UOSLKQBWIBYDPY-QMMMGPOBSA-N -1 1 401.363 0.412 20 0 HCADMM COC(=O)c1cc(S(=O)(=O)[N-]C[C@]23COC(=O)N2CCOC3)c(F)cc1Cl ZINC001671035659 1080085530 /nfs/dbraw/zinc/08/55/30/1080085530.db2.gz AQDQHZKSPPYVDC-HNNXBMFYSA-N -1 1 422.818 0.765 20 0 HCADMM COC(=O)c1cc(S(=O)(=O)[N-]C[C@@]23COC(=O)N2CCOC3)c(F)cc1Cl ZINC001671035660 1080085673 /nfs/dbraw/zinc/08/56/73/1080085673.db2.gz AQDQHZKSPPYVDC-OAHLLOKOSA-N -1 1 422.818 0.765 20 0 HCADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 ZINC001671036259 1080086161 /nfs/dbraw/zinc/08/61/61/1080086161.db2.gz UXBYPQZQNYPAED-AULYBMBSSA-N -1 1 413.477 0.870 20 0 HCADMM COC(=O)[C@@]1(C[N-]S(=O)(=O)c2cc3cc(F)ccc3o2)C[C@@H]1S(C)(=O)=O ZINC001671259764 1078030970 /nfs/dbraw/zinc/03/09/70/1078030970.db2.gz NSFSJNVFMXVREC-SWLSCSKDSA-N -1 1 405.425 0.827 20 0 HCADMM CN(CC[N-]S(=O)(=O)N=[S@](C)(=O)C1CCCCC1)CCS(C)(=O)=O ZINC001671260397 1080018913 /nfs/dbraw/zinc/01/89/13/1080018913.db2.gz YWTQFYADDQFVJK-HSZRJFAPSA-N -1 1 403.592 0.228 20 0 HCADMM CN(CC[N-]S(=O)(=O)N=[S@@](C)(=O)C1CCCCC1)CCS(C)(=O)=O ZINC001671260398 1080018897 /nfs/dbraw/zinc/01/88/97/1080018897.db2.gz YWTQFYADDQFVJK-QHCPKHFHSA-N -1 1 403.592 0.228 20 0 HCADMM