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C[C@H]1CSC[C@@H]1NS(=O)(=O)CCCCS(=O)(=O)Nc1nc[nH]n1 ZINC000348466898 530075577 /nfs/dbraw/zinc/07/55/77/530075577.db2.gz IAKZKUPABIXAIC-UWVGGRQHSA-N 0 2 383.521 -0.003 20 0 GBADLN C[C@H]1CSC[C@@H]1NS(=O)(=O)CCCCS(=O)(=O)Nc1nnc[nH]1 ZINC000348466898 530075574 /nfs/dbraw/zinc/07/55/74/530075574.db2.gz IAKZKUPABIXAIC-UWVGGRQHSA-N 0 2 383.521 -0.003 20 0 GBADLN C[C@H]1CSC[C@H]1NS(=O)(=O)CCCCS(=O)(=O)Nc1nc[nH]n1 ZINC000348466899 530075642 /nfs/dbraw/zinc/07/56/42/530075642.db2.gz IAKZKUPABIXAIC-VHSXEESVSA-N 0 2 383.521 -0.003 20 0 GBADLN C[C@H]1CSC[C@H]1NS(=O)(=O)CCCCS(=O)(=O)Nc1nnc[nH]1 ZINC000348466899 530075639 /nfs/dbraw/zinc/07/56/39/530075639.db2.gz IAKZKUPABIXAIC-VHSXEESVSA-N 0 2 383.521 -0.003 20 0 GBADLN C[C@@H]1CSC[C@@H]1NS(=O)(=O)CCCCS(=O)(=O)Nc1nc[nH]n1 ZINC000348466900 530075495 /nfs/dbraw/zinc/07/54/95/530075495.db2.gz IAKZKUPABIXAIC-ZJUUUORDSA-N 0 2 383.521 -0.003 20 0 GBADLN C[C@@H]1CSC[C@@H]1NS(=O)(=O)CCCCS(=O)(=O)Nc1nnc[nH]1 ZINC000348466900 530075494 /nfs/dbraw/zinc/07/54/94/530075494.db2.gz IAKZKUPABIXAIC-ZJUUUORDSA-N 0 2 383.521 -0.003 20 0 GBADLN O=S(=O)(CCCS(=O)(=O)Nc1nc[nH]n1)NCC1CCSCC1 ZINC000348467182 530075790 /nfs/dbraw/zinc/07/57/90/530075790.db2.gz IPMOHKUGIHYZLN-UHFFFAOYSA-N 0 2 383.521 -0.001 20 0 GBADLN O=S(=O)(CCCS(=O)(=O)Nc1nnc[nH]1)NCC1CCSCC1 ZINC000348467182 530075788 /nfs/dbraw/zinc/07/57/88/530075788.db2.gz IPMOHKUGIHYZLN-UHFFFAOYSA-N 0 2 383.521 -0.001 20 0 GBADLN CCc1cnc(NS(=O)(=O)CCCCS(=O)(=O)N2CCNC(=O)C2)o1 ZINC000348469208 530359679 /nfs/dbraw/zinc/35/96/79/530359679.db2.gz JVPTZYBRHPKUTH-UHFFFAOYSA-N 0 2 394.475 -0.480 20 0 GBADLN COc1cncnc1NS(=O)(=O)CCCS(=O)(=O)NC1CCOCC1 ZINC000348470292 530359537 /nfs/dbraw/zinc/35/95/37/530359537.db2.gz KQZXQGMHOBAHRE-UHFFFAOYSA-N 0 2 394.475 -0.285 20 0 GBADLN Cc1cnc(NS(=O)(=O)CCCS(=O)(=O)NCc2ccnn2C)o1 ZINC000348471157 530331046 /nfs/dbraw/zinc/33/10/46/530331046.db2.gz LFCKGNDZNBUNQQ-UHFFFAOYSA-N 0 2 377.448 -0.032 20 0 GBADLN COC1(C)CN(S(=O)(=O)CCCCS(=O)(=O)Nc2nnn(C)c2C)C1 ZINC000348473682 530359461 /nfs/dbraw/zinc/35/94/61/530359461.db2.gz NRKSMONDXCRNPW-UHFFFAOYSA-N 0 2 395.507 -0.304 20 0 GBADLN Cc1nc(NS(=O)(=O)CCCS(=O)(=O)NCc2ccco2)nn1C ZINC000348473710 530359671 /nfs/dbraw/zinc/35/96/71/530359671.db2.gz NTUFPUFKQFJHDA-UHFFFAOYSA-N 0 2 377.448 -0.032 20 0 GBADLN Cc1nc(NS(=O)(=O)CCCS(=O)(=O)NC[C@H]2CCCCO2)nn1C ZINC000348473725 530331068 /nfs/dbraw/zinc/33/10/68/530331068.db2.gz NWNHMZXMUDACJN-GFCCVEGCSA-N 0 2 395.507 -0.256 20 0 GBADLN Cc1nc(NS(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CCCCO2)nn1C ZINC000348473727 530331200 /nfs/dbraw/zinc/33/12/00/530331200.db2.gz NWNHMZXMUDACJN-LBPRGKRZSA-N 0 2 395.507 -0.256 20 0 GBADLN Cc1c(NS(=O)(=O)CCCS(=O)(=O)NC[C@H]2CCCCO2)nnn1C ZINC000348473765 530075626 /nfs/dbraw/zinc/07/56/26/530075626.db2.gz OCJOFSPJQGJSQH-GFCCVEGCSA-N 0 2 395.507 -0.256 20 0 GBADLN Cc1c(NS(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CCCCO2)nnn1C ZINC000348473766 530075530 /nfs/dbraw/zinc/07/55/30/530075530.db2.gz OCJOFSPJQGJSQH-LBPRGKRZSA-N 0 2 395.507 -0.256 20 0 GBADLN Cc1conc1NS(=O)(=O)CCCCS(=O)(=O)N(C)[C@@H]1COC[C@H]1O ZINC000348475200 530075719 /nfs/dbraw/zinc/07/57/19/530075719.db2.gz PSWFOXOMWWJCAQ-VXGBXAGGSA-N 0 2 397.475 -0.474 20 0 GBADLN Cc1cnc(NS(=O)(=O)CCCCS(=O)(=O)N2CCNC(=O)[C@H]2C)o1 ZINC000348475203 530075654 /nfs/dbraw/zinc/07/56/54/530075654.db2.gz PTDCIAXTMDMVFM-LLVKDONJSA-N 0 2 394.475 -0.345 20 0 GBADLN Cc1cnc(NS(=O)(=O)CCCCS(=O)(=O)N2CCNC(=O)[C@@H]2C)o1 ZINC000348475208 530075633 /nfs/dbraw/zinc/07/56/33/530075633.db2.gz PTDCIAXTMDMVFM-NSHDSACASA-N 0 2 394.475 -0.345 20 0 GBADLN O=S(=O)(CCCS(=O)(=O)Nc1nc[nH]n1)NC[C@@H]1CCC[C@@H](O)C1 ZINC000348475988 530075703 /nfs/dbraw/zinc/07/57/03/530075703.db2.gz QCQQSTGGRFOAPX-GHMZBOCLSA-N 0 2 381.480 -0.593 20 0 GBADLN O=S(=O)(CCCS(=O)(=O)Nc1nnc[nH]1)NC[C@@H]1CCC[C@@H](O)C1 ZINC000348475988 530075700 /nfs/dbraw/zinc/07/57/00/530075700.db2.gz QCQQSTGGRFOAPX-GHMZBOCLSA-N 0 2 381.480 -0.593 20 0 GBADLN O=S(=O)(CCCS(=O)(=O)Nc1nc[nH]n1)NC[C@@H]1CCC[C@H](O)C1 ZINC000348475989 530075772 /nfs/dbraw/zinc/07/57/72/530075772.db2.gz QCQQSTGGRFOAPX-MNOVXSKESA-N 0 2 381.480 -0.593 20 0 GBADLN O=S(=O)(CCCS(=O)(=O)Nc1nnc[nH]1)NC[C@@H]1CCC[C@H](O)C1 ZINC000348475989 530075770 /nfs/dbraw/zinc/07/57/70/530075770.db2.gz QCQQSTGGRFOAPX-MNOVXSKESA-N 0 2 381.480 -0.593 20 0 GBADLN O=S(=O)(CCCS(=O)(=O)Nc1nc[nH]n1)NC[C@H]1CCC[C@H](O)C1 ZINC000348475990 530075764 /nfs/dbraw/zinc/07/57/64/530075764.db2.gz QCQQSTGGRFOAPX-QWRGUYRKSA-N 0 2 381.480 -0.593 20 0 GBADLN O=S(=O)(CCCS(=O)(=O)Nc1nnc[nH]1)NC[C@H]1CCC[C@H](O)C1 ZINC000348475990 530075761 /nfs/dbraw/zinc/07/57/61/530075761.db2.gz QCQQSTGGRFOAPX-QWRGUYRKSA-N 0 2 381.480 -0.593 20 0 GBADLN O=S(=O)(CCCS(=O)(=O)Nc1nc[nH]n1)NC[C@H]1CCC[C@@H](O)C1 ZINC000348475991 530075726 /nfs/dbraw/zinc/07/57/26/530075726.db2.gz QCQQSTGGRFOAPX-WDEREUQCSA-N 0 2 381.480 -0.593 20 0 GBADLN O=S(=O)(CCCS(=O)(=O)Nc1nnc[nH]1)NC[C@H]1CCC[C@@H](O)C1 ZINC000348475991 530075725 /nfs/dbraw/zinc/07/57/25/530075725.db2.gz QCQQSTGGRFOAPX-WDEREUQCSA-N 0 2 381.480 -0.593 20 0 GBADLN Cc1c(NS(=O)(=O)CCCS(=O)(=O)NCC2(O)CCCC2)nnn1C ZINC000348477536 530075713 /nfs/dbraw/zinc/07/57/13/530075713.db2.gz ROJQYIVNQUMNJV-UHFFFAOYSA-N 0 2 395.507 -0.520 20 0 GBADLN Cc1nc(NS(=O)(=O)CCCS(=O)(=O)NC[C@H]2CCCO2)nn1C ZINC000348477561 530075580 /nfs/dbraw/zinc/07/55/80/530075580.db2.gz RWIHMJMJKHUPOC-LLVKDONJSA-N 0 2 381.480 -0.646 20 0 GBADLN Cc1nc(NS(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CCCO2)nn1C ZINC000348477562 530075826 /nfs/dbraw/zinc/07/58/26/530075826.db2.gz RWIHMJMJKHUPOC-NSHDSACASA-N 0 2 381.480 -0.646 20 0 GBADLN Cc1cnc(NS(=O)(=O)CCCCS(=O)(=O)N[C@@H]2CC[C@H]2O)nc1 ZINC000348478363 637463039 /nfs/dbraw/zinc/46/30/39/637463039.db2.gz SJIJKAMYFGXVMH-VXGBXAGGSA-N 0 2 378.476 -0.250 20 0 GBADLN Cn1cc(NS(=O)(=O)CCCCS(=O)(=O)N[C@@H]2COCC2(C)C)nn1 ZINC000348478805 530359872 /nfs/dbraw/zinc/35/98/72/530359872.db2.gz SXQCAARKHMRZPY-LLVKDONJSA-N 0 2 395.507 -0.319 20 0 GBADLN Cn1cc(NS(=O)(=O)CCCCS(=O)(=O)N[C@H]2COCC2(C)C)nn1 ZINC000348478806 530360107 /nfs/dbraw/zinc/36/01/07/530360107.db2.gz SXQCAARKHMRZPY-NSHDSACASA-N 0 2 395.507 -0.319 20 0 GBADLN Cc1ccnc(NS(=O)(=O)CCCS(=O)(=O)NCC2(O)CCC2)n1 ZINC000348480947 530075741 /nfs/dbraw/zinc/07/57/41/530075741.db2.gz UZKYBNMUDRBLDX-UHFFFAOYSA-N 0 2 378.476 -0.249 20 0 GBADLN Cc1ccc(CNS(=O)(=O)CCCS(=O)(=O)Nc2cn(C)nn2)cn1 ZINC000348484893 530075833 /nfs/dbraw/zinc/07/58/33/530075833.db2.gz XBNNOGLUHIPFFP-UHFFFAOYSA-N 0 2 388.475 -0.230 20 0 GBADLN Cc1ccnc(NS(=O)(=O)CCCCS(=O)(=O)N[C@@H]2CC[C@H]2O)n1 ZINC000348485557 530075755 /nfs/dbraw/zinc/07/57/55/530075755.db2.gz XYIAYZSHPOGUJH-VXGBXAGGSA-N 0 2 378.476 -0.250 20 0 GBADLN Cn1cc(NS(=O)(=O)CCCS(=O)(=O)NC[C@H]2CCCCO2)nn1 ZINC000348485563 530331203 /nfs/dbraw/zinc/33/12/03/530331203.db2.gz YALMCEHGAGNXQZ-LLVKDONJSA-N 0 2 381.480 -0.565 20 0 GBADLN Cn1cc(NS(=O)(=O)CCCS(=O)(=O)NC[C@@H]2CCCCO2)nn1 ZINC000348485564 530331051 /nfs/dbraw/zinc/33/10/51/530331051.db2.gz YALMCEHGAGNXQZ-NSHDSACASA-N 0 2 381.480 -0.565 20 0 GBADLN Cc1cnc(NS(=O)(=O)CCCCS(=O)(=O)N2CC(=O)N[C@@H](C)C2)o1 ZINC000348486761 530075779 /nfs/dbraw/zinc/07/57/79/530075779.db2.gz ZDEDTJBAIOSOQX-JTQLQIEISA-N 0 2 394.475 -0.345 20 0 GBADLN Cc1cnc(NS(=O)(=O)CCCCS(=O)(=O)N2CC(=O)N[C@H](C)C2)o1 ZINC000348486762 530075524 /nfs/dbraw/zinc/07/55/24/530075524.db2.gz ZDEDTJBAIOSOQX-SNVBAGLBSA-N 0 2 394.475 -0.345 20 0 GBADLN Cc1cnc(NS(=O)(=O)CCCCS(=O)(=O)N[C@@H]2CCN(C)C2=O)o1 ZINC000348487059 530331274 /nfs/dbraw/zinc/33/12/74/530331274.db2.gz ZWVBCTOGDKYNCY-LLVKDONJSA-N 0 2 394.475 -0.345 20 0 GBADLN Cc1cnc(NS(=O)(=O)CCCCS(=O)(=O)N[C@H]2CCN(C)C2=O)o1 ZINC000348487060 530331517 /nfs/dbraw/zinc/33/15/17/530331517.db2.gz ZWVBCTOGDKYNCY-NSHDSACASA-N 0 2 394.475 -0.345 20 0 GBADLN COC(=O)[C@@H]1CCc2sc(NS(=O)(=O)CCCS(N)(=O)=O)nc2C1 ZINC000349443622 530075937 /nfs/dbraw/zinc/07/59/37/530075937.db2.gz AZEYFNRAILGJOL-MRVPVSSYSA-N 0 2 397.500 -0.159 20 0 GBADLN COC(=O)[C@H]1CCc2sc(NS(=O)(=O)CCCS(N)(=O)=O)nc2C1 ZINC000349443623 530076100 /nfs/dbraw/zinc/07/61/00/530076100.db2.gz AZEYFNRAILGJOL-QMMMGPOBSA-N 0 2 397.500 -0.159 20 0 GBADLN C[C@H](O)CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)Nc1ncn(C)n1 ZINC000349445510 530363604 /nfs/dbraw/zinc/36/36/04/530363604.db2.gz GEDKTGZQYLZTAB-JTQLQIEISA-N 0 2 389.459 -0.383 20 0 GBADLN C[C@@H](O)CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)Nc1ncn(C)n1 ZINC000349445515 530076041 /nfs/dbraw/zinc/07/60/41/530076041.db2.gz GEDKTGZQYLZTAB-SNVBAGLBSA-N 0 2 389.459 -0.383 20 0 GBADLN Cn1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCc3c[nH+]ccc32)n1 ZINC000349445613 530332647 /nfs/dbraw/zinc/33/26/47/530332647.db2.gz GMTVJMSJKHEIFT-UHFFFAOYSA-N 0 2 386.459 -0.266 20 0 GBADLN NS(=O)(=O)CCCS(=O)(=O)Nc1nc2ccc(Br)cn2n1 ZINC000349445678 530076061 /nfs/dbraw/zinc/07/60/61/530076061.db2.gz GQSDPNABNNUZJZ-UHFFFAOYSA-N 0 2 398.264 -0.088 20 0 GBADLN CC1(C)Cc2nc(NS(=O)(=O)CCCS(N)(=O)=O)sc2C(=O)N1 ZINC000349447018 530363344 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20 0 GBADLN Cc1ccnc(NS(=O)(=O)CCCS(=O)(=O)N2CC(=O)N[C@@H](C)C2)n1 ZINC000349499778 530335553 /nfs/dbraw/zinc/33/55/53/530335553.db2.gz KNEHVKVNRMSYRH-NSHDSACASA-N 0 2 391.475 -0.933 20 0 GBADLN Cn1cnc(NS(=O)(=O)CCCS(=O)(=O)N2CCC[C@@H]2C(C)(C)O)n1 ZINC000349499817 530084031 /nfs/dbraw/zinc/08/40/31/530084031.db2.gz KUPKTWLZWADDDI-LLVKDONJSA-N 0 2 395.507 -0.488 20 0 GBADLN Cn1cnc(NS(=O)(=O)CCCS(=O)(=O)N2CCC[C@H]2C(C)(C)O)n1 ZINC000349499818 530084193 /nfs/dbraw/zinc/08/41/93/530084193.db2.gz KUPKTWLZWADDDI-NSHDSACASA-N 0 2 395.507 -0.488 20 0 GBADLN CCc1cc(NS(=O)(=O)CCCS(=O)(=O)N2CCN(C)C(=O)C2)no1 ZINC000349499851 530365251 /nfs/dbraw/zinc/36/52/51/530365251.db2.gz RZRTUMORQBTDCC-UHFFFAOYSA-N 0 2 394.475 -0.527 20 0 GBADLN Cc1cnc(NS(=O)(=O)CCCS(=O)(=O)N2CC(=O)NCC2(C)C)o1 ZINC000349499893 530084008 /nfs/dbraw/zinc/08/40/08/530084008.db2.gz SFAJPJNCKKPOLU-UHFFFAOYSA-N 0 2 394.475 -0.345 20 0 GBADLN Cc1csc(NS(=O)(=O)CCCS(=O)(=O)N2CC(=O)N[C@H](C)C2)n1 ZINC000349500213 530365832 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C[C@@H]1CC(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)NCC(F)(F)F ZINC000349500429 530365886 /nfs/dbraw/zinc/36/58/86/530365886.db2.gz GXWMQMXOCATXON-SECBINFHSA-N 0 2 395.425 -0.602 20 0 GBADLN C[C@H]1CC(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)NCC(F)(F)F ZINC000349500430 530365607 /nfs/dbraw/zinc/36/56/07/530365607.db2.gz GXWMQMXOCATXON-VIFPVBQESA-N 0 2 395.425 -0.602 20 0 GBADLN COc1cnc(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@@H](OC)C2)nc1 ZINC000349500457 637488519 /nfs/dbraw/zinc/48/85/19/637488519.db2.gz DRSUKAWAXAAHJF-LLVKDONJSA-N 0 2 394.475 -0.333 20 0 GBADLN COc1cnc(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@H](OC)C2)nc1 ZINC000349500458 530084014 /nfs/dbraw/zinc/08/40/14/530084014.db2.gz DRSUKAWAXAAHJF-NSHDSACASA-N 0 2 394.475 -0.333 20 0 GBADLN C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)C[C@H](C)[N@@H+]1C ZINC000349500473 530084117 /nfs/dbraw/zinc/08/41/17/530084117.db2.gz DVHDQXATSGLTBR-PHIMTYICSA-N 0 2 380.496 -0.709 20 0 GBADLN C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2nc[nH]n2)C[C@H](C)[N@H+]1C ZINC000349500473 530084114 /nfs/dbraw/zinc/08/41/14/530084114.db2.gz DVHDQXATSGLTBR-PHIMTYICSA-N 0 2 380.496 -0.709 20 0 GBADLN CCc1nnc(NS(=O)(=O)CCCS(=O)(=O)N2CC(CO)C2)s1 ZINC000349500521 530335559 /nfs/dbraw/zinc/33/55/59/530335559.db2.gz FGSGXCDFYNYPPJ-UHFFFAOYSA-N 0 2 384.505 -0.514 20 0 GBADLN C[C@]1(CO)CCCN1S(=O)(=O)CCCS(=O)(=O)Nc1ncccn1 ZINC000349500632 530084126 /nfs/dbraw/zinc/08/41/26/530084126.db2.gz TVZLMPFBYMJIIL-CYBMUJFWSA-N 0 2 378.476 -0.215 20 0 GBADLN C[C@@]1(CO)CCCN1S(=O)(=O)CCCS(=O)(=O)Nc1ncccn1 ZINC000349500633 530084284 /nfs/dbraw/zinc/08/42/84/530084284.db2.gz TVZLMPFBYMJIIL-ZDUSSCGKSA-N 0 2 378.476 -0.215 20 0 GBADLN CN([C@@H]1CCCC[C@H]1O)S(=O)(=O)CCCS(=O)(=O)Nc1ncn(C)n1 ZINC000349500799 530083984 /nfs/dbraw/zinc/08/39/84/530083984.db2.gz DHQPMXYXSWMAJT-VXGBXAGGSA-N 0 2 395.507 -0.488 20 0 GBADLN C[C@@H]1CC(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)Nc1nncs1 ZINC000349500842 530365844 /nfs/dbraw/zinc/36/58/44/530365844.db2.gz HBAXZEYMFJIZIE-SECBINFHSA-N 0 2 397.504 -0.790 20 0 GBADLN C[C@H]1CC(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)Nc1nncs1 ZINC000349500843 530365835 /nfs/dbraw/zinc/36/58/35/530365835.db2.gz HBAXZEYMFJIZIE-VIFPVBQESA-N 0 2 397.504 -0.790 20 0 GBADLN CN(CC1CCOCC1)S(=O)(=O)CCCS(=O)(=O)Nc1nc[nH]n1 ZINC000349500934 530084043 /nfs/dbraw/zinc/08/40/43/530084043.db2.gz HRQNEAFIRSVBCU-UHFFFAOYSA-N 0 2 381.480 -0.375 20 0 GBADLN CN(CC1CCOCC1)S(=O)(=O)CCCS(=O)(=O)Nc1nnc[nH]1 ZINC000349500934 530084042 /nfs/dbraw/zinc/08/40/42/530084042.db2.gz HRQNEAFIRSVBCU-UHFFFAOYSA-N 0 2 381.480 -0.375 20 0 GBADLN CN(CC1(O)CCCC1)S(=O)(=O)CCCS(=O)(=O)Nc1cn(C)nn1 ZINC000349501164 530084078 /nfs/dbraw/zinc/08/40/78/530084078.db2.gz FRWZAKHKVPFKQW-UHFFFAOYSA-N 0 2 395.507 -0.486 20 0 GBADLN COc1cnc([N-]S(=O)(=O)CCCS(=O)(=O)N2CC([NH+](C)C)C2)nc1 ZINC000349501292 530084688 /nfs/dbraw/zinc/08/46/88/530084688.db2.gz MNYQVHDLCPTKNX-UHFFFAOYSA-N 0 2 393.491 -0.807 20 0 GBADLN Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N2CCn3c[nH+]cc3C2)no1 ZINC000349501309 530365610 /nfs/dbraw/zinc/36/56/10/530365610.db2.gz MSOKLKQFLUJDRG-UHFFFAOYSA-N 0 2 390.447 -0.448 20 0 GBADLN CN(CC1CCOCC1)S(=O)(=O)CCCS(=O)(=O)Nc1ncn(C)n1 ZINC000349501357 530084630 /nfs/dbraw/zinc/08/46/30/530084630.db2.gz HVPIKCBZOPFQED-UHFFFAOYSA-N 0 2 395.507 -0.365 20 0 GBADLN Cc1onc(NS(=O)(=O)CCCS(=O)(=O)N2CCN(C)C(=O)C2)c1C ZINC000349501381 530084653 /nfs/dbraw/zinc/08/46/53/530084653.db2.gz TZTPJDBTQMTAQM-UHFFFAOYSA-N 0 2 394.475 -0.473 20 0 GBADLN CNC(=O)[C@@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)Nc1nncs1 ZINC000349501388 530365620 /nfs/dbraw/zinc/36/56/20/530365620.db2.gz HYPSCOJPVKBMNY-VIFPVBQESA-N 0 2 397.504 -0.790 20 0 GBADLN CN(C[C@H]1CCCOC1)S(=O)(=O)CCCS(=O)(=O)Nc1ncn(C)n1 ZINC000349501403 530084561 /nfs/dbraw/zinc/08/45/61/530084561.db2.gz HZCMGINABDKHQW-GFCCVEGCSA-N 0 2 395.507 -0.365 20 0 GBADLN CN(C[C@@H]1CCCOC1)S(=O)(=O)CCCS(=O)(=O)Nc1ncn(C)n1 ZINC000349501405 530084420 /nfs/dbraw/zinc/08/44/20/530084420.db2.gz HZCMGINABDKHQW-LBPRGKRZSA-N 0 2 395.507 -0.365 20 0 GBADLN CNC(=O)[C@@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)Nc1ncccn1 ZINC000349501488 530365642 /nfs/dbraw/zinc/36/56/42/530365642.db2.gz IIKXPFQGNDMGOU-NSHDSACASA-N 0 2 391.475 -0.851 20 0 GBADLN COC(=O)[C@]1(C)CCN(S(=O)(=O)CCCS(=O)(=O)Nc2nc[nH]n2)C1 ZINC000349501575 530084461 /nfs/dbraw/zinc/08/44/61/530084461.db2.gz QFLWZRHNOYFEEZ-GFCCVEGCSA-N 0 2 395.463 -0.849 20 0 GBADLN COC(=O)[C@]1(C)CCN(S(=O)(=O)CCCS(=O)(=O)Nc2nnc[nH]2)C1 ZINC000349501575 530084459 /nfs/dbraw/zinc/08/44/59/530084459.db2.gz QFLWZRHNOYFEEZ-GFCCVEGCSA-N 0 2 395.463 -0.849 20 0 GBADLN COC(=O)[C@@]1(C)CCN(S(=O)(=O)CCCS(=O)(=O)Nc2nc[nH]n2)C1 ZINC000349501576 530084444 /nfs/dbraw/zinc/08/44/44/530084444.db2.gz QFLWZRHNOYFEEZ-LBPRGKRZSA-N 0 2 395.463 -0.849 20 0 GBADLN COC(=O)[C@@]1(C)CCN(S(=O)(=O)CCCS(=O)(=O)Nc2nnc[nH]2)C1 ZINC000349501576 530084441 /nfs/dbraw/zinc/08/44/41/530084441.db2.gz QFLWZRHNOYFEEZ-LBPRGKRZSA-N 0 2 395.463 -0.849 20 0 GBADLN Cc1noc(NS(=O)(=O)CCCS(=O)(=O)N2CC(=O)N[C@H](C)C2)c1C ZINC000349501740 530084716 /nfs/dbraw/zinc/08/47/16/530084716.db2.gz MYYUWJAGXQXRHW-SECBINFHSA-N 0 2 394.475 -0.427 20 0 GBADLN Cc1noc(NS(=O)(=O)CCCS(=O)(=O)N2CC(=O)N[C@@H](C)C2)c1C ZINC000349501741 530084548 /nfs/dbraw/zinc/08/45/48/530084548.db2.gz MYYUWJAGXQXRHW-VIFPVBQESA-N 0 2 394.475 -0.427 20 0 GBADLN Cn1cc(NS(=O)(=O)CCCS(=O)(=O)N2CCC[C@@H]2C(C)(C)O)nn1 ZINC000349501746 530336043 /nfs/dbraw/zinc/33/60/43/530336043.db2.gz NAZMMIMZONRFCR-LLVKDONJSA-N 0 2 395.507 -0.488 20 0 GBADLN Cn1cc(NS(=O)(=O)CCCS(=O)(=O)N2CCC[C@H]2C(C)(C)O)nn1 ZINC000349501747 530335799 /nfs/dbraw/zinc/33/57/99/530335799.db2.gz NAZMMIMZONRFCR-NSHDSACASA-N 0 2 395.507 -0.488 20 0 GBADLN CN(C[C@H]1CCCOC1)S(=O)(=O)CCCS(=O)(=O)Nc1nc[nH]n1 ZINC000349501952 530335865 /nfs/dbraw/zinc/33/58/65/530335865.db2.gz IYGAGPHFVRJWCW-LLVKDONJSA-N 0 2 381.480 -0.375 20 0 GBADLN CN(C[C@H]1CCCOC1)S(=O)(=O)CCCS(=O)(=O)Nc1nnc[nH]1 ZINC000349501952 530335863 /nfs/dbraw/zinc/33/58/63/530335863.db2.gz IYGAGPHFVRJWCW-LLVKDONJSA-N 0 2 381.480 -0.375 20 0 GBADLN CN(C[C@@H]1CCCOC1)S(=O)(=O)CCCS(=O)(=O)Nc1nc[nH]n1 ZINC000349501953 530335912 /nfs/dbraw/zinc/33/59/12/530335912.db2.gz IYGAGPHFVRJWCW-NSHDSACASA-N 0 2 381.480 -0.375 20 0 GBADLN CN(C[C@@H]1CCCOC1)S(=O)(=O)CCCS(=O)(=O)Nc1nnc[nH]1 ZINC000349501953 530335910 /nfs/dbraw/zinc/33/59/10/530335910.db2.gz IYGAGPHFVRJWCW-NSHDSACASA-N 0 2 381.480 -0.375 20 0 GBADLN C[C@H]1CC(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)Nc1nccs1 ZINC000349501961 530365636 /nfs/dbraw/zinc/36/56/36/530365636.db2.gz IZFNDAXKRVUTGS-JTQLQIEISA-N 0 2 396.516 -0.185 20 0 GBADLN C[C@@H]1CC(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)Nc1nccs1 ZINC000349501962 530365687 /nfs/dbraw/zinc/36/56/87/530365687.db2.gz IZFNDAXKRVUTGS-SNVBAGLBSA-N 0 2 396.516 -0.185 20 0 GBADLN NC(=O)[C@@H]1C[C@@H](F)CN1S(=O)(=O)CCCS(=O)(=O)Nc1ccon1 ZINC000349502110 530084402 /nfs/dbraw/zinc/08/44/02/530084402.db2.gz DMADKKZJTAPACC-BDAKNGLRSA-N 0 2 384.411 -0.966 20 0 GBADLN CN(C[C@H]1CCOC1)S(=O)(=O)CCCS(=O)(=O)Nc1ncccn1 ZINC000349502123 530084753 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ZINC000824917875 609173008 /nfs/dbraw/zinc/17/30/08/609173008.db2.gz ONICYTICIHQXMX-VVHFOWEKSA-N 0 2 391.432 -0.002 20 0 GBADLN C[C@H]1CCCC[C@@H]1OCCNC(=O)Cn1c(=O)c(-c2nn[nH]n2)cn(C)c1=O ZINC000824939950 608095495 /nfs/dbraw/zinc/09/54/95/608095495.db2.gz YITMTWUPVHUGMZ-AAEUAGOBSA-N 0 2 391.432 -0.561 20 0 GBADLN C[C@@H]1CCCC[C@H]1OCCNC(=O)Cn1c(=O)c(-c2nn[nH]n2)cn(C)c1=O ZINC000824939951 608095647 /nfs/dbraw/zinc/09/56/47/608095647.db2.gz YITMTWUPVHUGMZ-DGCLKSJQSA-N 0 2 391.432 -0.561 20 0 GBADLN C[C@H]1CCCC[C@H]1OCCNC(=O)Cn1c(=O)c(-c2nn[nH]n2)cn(C)c1=O ZINC000824939952 608095581 /nfs/dbraw/zinc/09/55/81/608095581.db2.gz YITMTWUPVHUGMZ-WCQYABFASA-N 0 2 391.432 -0.561 20 0 GBADLN C[C@@H]1CCCC[C@@H]1OCCNC(=O)Cn1c(=O)c(-c2nn[nH]n2)cn(C)c1=O ZINC000824939953 608095737 /nfs/dbraw/zinc/09/57/37/608095737.db2.gz YITMTWUPVHUGMZ-YPMHNXCESA-N 0 2 391.432 -0.561 20 0 GBADLN C[C@@H]1CN(c2c(-c3nn[nH]n3)c(=O)n(C)c(=O)n2C)CCN1CC(F)(F)F ZINC000824992077 608100419 /nfs/dbraw/zinc/10/04/19/608100419.db2.gz JOSAKPAURSSZLS-MRVPVSSYSA-N 0 2 388.354 -0.663 20 0 GBADLN C[C@H]1CN(c2c(-c3nn[nH]n3)c(=O)n(C)c(=O)n2C)CCN1CC(F)(F)F ZINC000824992079 608100528 /nfs/dbraw/zinc/10/05/28/608100528.db2.gz JOSAKPAURSSZLS-QMMMGPOBSA-N 0 2 388.354 -0.663 20 0 GBADLN C[C@H]1Oc2ccc(C(=O)Cn3c(=O)c(-c4nn[nH]n4)cn(C)c3=O)cc2NC1=O ZINC000825020783 608095544 /nfs/dbraw/zinc/09/55/44/608095544.db2.gz LQKORMVDYVYUJZ-MRVPVSSYSA-N 0 2 397.351 -0.671 20 0 GBADLN C[C@@H]1Oc2ccc(C(=O)Cn3c(=O)c(-c4nn[nH]n4)cn(C)c3=O)cc2NC1=O ZINC000825020784 608095679 /nfs/dbraw/zinc/09/56/79/608095679.db2.gz LQKORMVDYVYUJZ-QMMMGPOBSA-N 0 2 397.351 -0.671 20 0 GBADLN CC[C@@H]1CN(c2c(-c3nn[nH]n3)c(=O)n(C)c(=O)n2C)CCN1CC(F)F ZINC000825209789 608234429 /nfs/dbraw/zinc/23/44/29/608234429.db2.gz CMPIQXJVOHOADF-SECBINFHSA-N 0 2 384.391 -0.570 20 0 GBADLN CC[C@H]1CN(c2c(-c3nn[nH]n3)c(=O)n(C)c(=O)n2C)CCN1CC(F)F ZINC000825209791 608234415 /nfs/dbraw/zinc/23/44/15/608234415.db2.gz CMPIQXJVOHOADF-VIFPVBQESA-N 0 2 384.391 -0.570 20 0 GBADLN CC[C@@H]1CN(C(C)=O)CC[C@H]1Nc1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C ZINC000825210883 607904696 /nfs/dbraw/zinc/90/46/96/607904696.db2.gz JZFWHQYIJDHUOQ-GHMZBOCLSA-N 0 2 376.421 -0.677 20 0 GBADLN CC[C@@H]1CN(C(C)=O)CC[C@@H]1Nc1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C ZINC000825210885 607904708 /nfs/dbraw/zinc/90/47/08/607904708.db2.gz JZFWHQYIJDHUOQ-MNOVXSKESA-N 0 2 376.421 -0.677 20 0 GBADLN CC[C@H]1CN(C(C)=O)CC[C@@H]1Nc1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C ZINC000825210888 607904679 /nfs/dbraw/zinc/90/46/79/607904679.db2.gz JZFWHQYIJDHUOQ-QWRGUYRKSA-N 0 2 376.421 -0.677 20 0 GBADLN CC[C@H]1CN(C(C)=O)CC[C@H]1Nc1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C ZINC000825210890 607904820 /nfs/dbraw/zinc/90/48/20/607904820.db2.gz JZFWHQYIJDHUOQ-WDEREUQCSA-N 0 2 376.421 -0.677 20 0 GBADLN CCCOc1ccc(CNC(=O)Cn2c(=O)c(-c3nn[nH]n3)cn(C)c2=O)cc1 ZINC000825338570 608095481 /nfs/dbraw/zinc/09/54/81/608095481.db2.gz DFEYWXWPGJCBAO-UHFFFAOYSA-N 0 2 399.411 -0.168 20 0 GBADLN CCCOc1cccc(CNC(=O)Cn2c(=O)c(-c3nn[nH]n3)cn(C)c2=O)c1 ZINC000825341801 608095511 /nfs/dbraw/zinc/09/55/11/608095511.db2.gz KIRHODMDGZKXHK-UHFFFAOYSA-N 0 2 399.411 -0.168 20 0 GBADLN CCOC(=O)[C@@H](CO)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[nH]n2)c1C ZINC000825493300 608862785 /nfs/dbraw/zinc/86/27/85/608862785.db2.gz KKADXFIDFSPUHA-LLVKDONJSA-N 0 2 378.389 -0.443 20 0 GBADLN CCOC(=O)[C@H](CO)NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[nH]n2)c1C ZINC000825493301 608862408 /nfs/dbraw/zinc/86/24/08/608862408.db2.gz KKADXFIDFSPUHA-NSHDSACASA-N 0 2 378.389 -0.443 20 0 GBADLN CCOC(=O)[C@]1(CCn2c(=O)c(-c3nn[nH]n3)cn(C)c2=O)CCCC1=O ZINC000825493842 608096042 /nfs/dbraw/zinc/09/60/42/608096042.db2.gz OQFSWCRFSCXCLO-INIZCTEOSA-N 0 2 376.373 -0.580 20 0 GBADLN CCOC(=O)[C@@]1(CCn2c(=O)c(-c3nn[nH]n3)cn(C)c2=O)CCCC1=O ZINC000825493843 608096070 /nfs/dbraw/zinc/09/60/70/608096070.db2.gz OQFSWCRFSCXCLO-MRXNPFEDSA-N 0 2 376.373 -0.580 20 0 GBADLN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)[O-] ZINC000825501818 603520574 /nfs/dbraw/zinc/52/05/74/603520574.db2.gz FPAUNHBSBIZSNP-GHMZBOCLSA-N 0 2 390.487 -0.175 20 0 GBADLN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)[O-] ZINC000825501818 603520570 /nfs/dbraw/zinc/52/05/70/603520570.db2.gz FPAUNHBSBIZSNP-GHMZBOCLSA-N 0 2 390.487 -0.175 20 0 GBADLN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)[O-] ZINC000825501819 603520733 /nfs/dbraw/zinc/52/07/33/603520733.db2.gz FPAUNHBSBIZSNP-MNOVXSKESA-N 0 2 390.487 -0.175 20 0 GBADLN C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)[O-] ZINC000825501819 603520729 /nfs/dbraw/zinc/52/07/29/603520729.db2.gz FPAUNHBSBIZSNP-MNOVXSKESA-N 0 2 390.487 -0.175 20 0 GBADLN C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[N@@H+](C)C[C@@H]1CNC(=O)[O-] ZINC000825501820 603520891 /nfs/dbraw/zinc/52/08/91/603520891.db2.gz FPAUNHBSBIZSNP-QWRGUYRKSA-N 0 2 390.487 -0.175 20 0 GBADLN C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[N@H+](C)C[C@@H]1CNC(=O)[O-] ZINC000825501820 603520887 /nfs/dbraw/zinc/52/08/87/603520887.db2.gz FPAUNHBSBIZSNP-QWRGUYRKSA-N 0 2 390.487 -0.175 20 0 GBADLN C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[N@@H+](C)C[C@H]1CNC(=O)[O-] ZINC000825501821 603521081 /nfs/dbraw/zinc/52/10/81/603521081.db2.gz FPAUNHBSBIZSNP-WDEREUQCSA-N 0 2 390.487 -0.175 20 0 GBADLN C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CC[N@H+](C)C[C@H]1CNC(=O)[O-] ZINC000825501821 603521078 /nfs/dbraw/zinc/52/10/78/603521078.db2.gz FPAUNHBSBIZSNP-WDEREUQCSA-N 0 2 390.487 -0.175 20 0 GBADLN CCOC(=O)CCC1CCN(c2c(-c3nn[nH]n3)c(=O)n(C)c(=O)n2C)CC1 ZINC000825506826 607679695 /nfs/dbraw/zinc/67/96/95/607679695.db2.gz NUNOYMQTBFFRQM-UHFFFAOYSA-N 0 2 391.432 -0.176 20 0 GBADLN CCOC(=O)CC[C@H]1CCCN(c2c(-c3nn[nH]n3)c(=O)n(C)c(=O)n2C)C1 ZINC000825507927 607731565 /nfs/dbraw/zinc/73/15/65/607731565.db2.gz UZJVKNXAQALETL-LLVKDONJSA-N 0 2 391.432 -0.176 20 0 GBADLN CCOC(=O)CC[C@@H]1CCCN(c2c(-c3nn[nH]n3)c(=O)n(C)c(=O)n2C)C1 ZINC000825507929 607731097 /nfs/dbraw/zinc/73/10/97/607731097.db2.gz UZJVKNXAQALETL-NSHDSACASA-N 0 2 391.432 -0.176 20 0 GBADLN CCOC(=O)CN(Cc1ccccc1)c1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C ZINC000825517572 607987162 /nfs/dbraw/zinc/98/71/62/607987162.db2.gz GCUAQLGNDJVSJS-UHFFFAOYSA-N 0 2 399.411 -0.166 20 0 GBADLN CCOCCN(C)CC(=O)N1CCN(c2oc(C)nc2-c2nn[nH]n2)CC1 ZINC000825594766 608268003 /nfs/dbraw/zinc/26/80/03/608268003.db2.gz QGNKVDZYTRJMBD-UHFFFAOYSA-N 0 2 378.437 -0.220 20 0 GBADLN CCOCc1ccc(CNC(=O)Cn2c(=O)c(-c3nn[nH]n3)cn(C)c2=O)cc1 ZINC000825605100 608096331 /nfs/dbraw/zinc/09/63/31/608096331.db2.gz PWVOMZXCVFXHKD-UHFFFAOYSA-N 0 2 399.411 -0.420 20 0 GBADLN CCOCc1ccccc1CNC(=O)Cn1c(=O)c(-c2nn[nH]n2)cn(C)c1=O ZINC000825605555 608096115 /nfs/dbraw/zinc/09/61/15/608096115.db2.gz XIMCKLMGPJSSEB-UHFFFAOYSA-N 0 2 399.411 -0.420 20 0 GBADLN CCOc1cccc(CNC(=O)Cn2c(=O)c(-c3nn[nH]n3)cn(C)c2=O)c1 ZINC000825649286 608096087 /nfs/dbraw/zinc/09/60/87/608096087.db2.gz NUTFEQSBLQCSHR-UHFFFAOYSA-N 0 2 385.384 -0.558 20 0 GBADLN CCc1ccc(CNC(=O)Cn2c(=O)c(-c3nn[nH]n3)cn(C)c2=O)s1 ZINC000825712639 608096126 /nfs/dbraw/zinc/09/61/26/608096126.db2.gz SYXUVGPPKRZZEO-UHFFFAOYSA-N 0 2 375.414 -0.333 20 0 GBADLN CC1(C)CN(C(=O)[O-])CCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000825719590 603946174 /nfs/dbraw/zinc/94/61/74/603946174.db2.gz UDTPMTAIRGMROV-AWEZNQCLSA-N 0 2 382.461 -0.232 20 0 GBADLN CC1(C)CN(C(=O)[O-])CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000825719592 603946366 /nfs/dbraw/zinc/94/63/66/603946366.db2.gz UDTPMTAIRGMROV-CQSZACIVSA-N 0 2 382.461 -0.232 20 0 GBADLN CCc1nn(C)c(OC)c1CNc1c(-c2nn[nH]n2)c(=O)n(C)c(=O)n1C ZINC000825760435 608241681 /nfs/dbraw/zinc/24/16/81/608241681.db2.gz ZVOCIPRZDRATHG-UHFFFAOYSA-N 0 2 375.393 -0.819 20 0 GBADLN CCc1nn(CC(=O)N[C@H]2CCSC2=O)c(=O)c(-c2nn[nH]n2)c1CC ZINC000825763324 608022734 /nfs/dbraw/zinc/02/27/34/608022734.db2.gz UFYXODCTKHTNRJ-JTQLQIEISA-N 0 2 377.430 -0.304 20 0 GBADLN CCc1nn(CC(=O)N[C@@H]2CCSC2=O)c(=O)c(-c2nn[nH]n2)c1CC ZINC000825763325 608022773 /nfs/dbraw/zinc/02/27/73/608022773.db2.gz UFYXODCTKHTNRJ-SNVBAGLBSA-N 0 2 377.430 -0.304 20 0 GBADLN C[C@H]1C[C@@H](NC(=O)NCC[NH+]2CCN(C(=O)[O-])CC2)C(=O)N1c1cnn(C)c1 ZINC000825793895 604075330 /nfs/dbraw/zinc/07/53/30/604075330.db2.gz BZRXMWOGTWCLMR-GXTWGEPZSA-N 0 2 393.448 -0.491 20 0 GBADLN C[C@H]1C[C@H](NC(=O)NCC[NH+]2CCN(C(=O)[O-])CC2)C(=O)N1c1cnn(C)c1 ZINC000825793896 604075309 /nfs/dbraw/zinc/07/53/09/604075309.db2.gz BZRXMWOGTWCLMR-JSGCOSHPSA-N 0 2 393.448 -0.491 20 0 GBADLN C[C@@H]1C[C@H](NC(=O)NCC[NH+]2CCN(C(=O)[O-])CC2)C(=O)N1c1cnn(C)c1 ZINC000825793897 604075271 /nfs/dbraw/zinc/07/52/71/604075271.db2.gz BZRXMWOGTWCLMR-OCCSQVGLSA-N 0 2 393.448 -0.491 20 0 GBADLN C[C@@H]1C[C@@H](NC(=O)NCC[NH+]2CCN(C(=O)[O-])CC2)C(=O)N1c1cnn(C)c1 ZINC000825793898 604075125 /nfs/dbraw/zinc/07/51/25/604075125.db2.gz BZRXMWOGTWCLMR-TZMCWYRMSA-N 0 2 393.448 -0.491 20 0 GBADLN CCn1cc(-c2nn[nH]n2)c(=O)n(CC2(CS(C)(=O)=O)CCOCC2)c1=O ZINC000825796260 607916708 /nfs/dbraw/zinc/91/67/08/607916708.db2.gz 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C[C@@H](NC(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[C@H](O)c1cccc(F)c1 ZINC001571292053 946087889 /nfs/dbraw/zinc/08/78/89/946087889.db2.gz UBQQQRQIDLOFQI-OQPBUACISA-N 0 2 389.347 -0.494 20 0 GBADLN C[C@H](NC(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)[C@H](O)c1cccc(F)c1 ZINC001571292054 946091165 /nfs/dbraw/zinc/09/11/65/946091165.db2.gz UBQQQRQIDLOFQI-SDBXPKJASA-N 0 2 389.347 -0.494 20 0 GBADLN CO[C@H](CNC(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)c1ccc(F)cc1 ZINC001571292250 946093495 /nfs/dbraw/zinc/09/34/95/946093495.db2.gz WNOSOSZQFKGVGJ-GFCCVEGCSA-N 0 2 389.347 -0.228 20 0 GBADLN CO[C@@H](CNC(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)c1ccc(F)cc1 ZINC001571292251 946091852 /nfs/dbraw/zinc/09/18/52/946091852.db2.gz WNOSOSZQFKGVGJ-LBPRGKRZSA-N 0 2 389.347 -0.228 20 0 GBADLN O=C(CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)NCC1(C2(O)CCC2)CCC1 ZINC001571292392 946094498 /nfs/dbraw/zinc/09/44/98/946094498.db2.gz YVFRRFHEAGFPBS-UHFFFAOYSA-N 0 2 389.416 -0.279 20 0 GBADLN COCc1ccc([C@@H]2COCCN2c2[nH]c(=O)n(C)c(=O)c2-c2nn[nH]n2)o1 ZINC001571292427 946096278 /nfs/dbraw/zinc/09/62/78/946096278.db2.gz ZLGGSQBLAGCLAN-JTQLQIEISA-N 0 2 389.372 -0.429 20 0 GBADLN COCc1ccc([C@H]2COCCN2c2[nH]c(=O)n(C)c(=O)c2-c2nn[nH]n2)o1 ZINC001571292433 946096194 /nfs/dbraw/zinc/09/61/94/946096194.db2.gz ZLGGSQBLAGCLAN-SNVBAGLBSA-N 0 2 389.372 -0.429 20 0 GBADLN COC1(C(=O)Nc2nc(-c3cccc(-c4nn[nH]n4)c3)n[nH]2)CS(=O)(=O)C1 ZINC001571294774 946144008 /nfs/dbraw/zinc/14/40/08/946144008.db2.gz MBNVLALTYXQNOF-UHFFFAOYSA-N 0 2 390.385 -0.596 20 0 GBADLN Cn1c(=O)[nH]c(N2CCN(c3cc(Cl)ccn3)CC2)c(-c2nn[nH]n2)c1=O ZINC001571294875 946147109 /nfs/dbraw/zinc/14/71/09/946147109.db2.gz OSEAOEXHRKSCGC-UHFFFAOYSA-N 0 2 389.807 -0.371 20 0 GBADLN O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)NCCC(=O)N1CCCCCC1 ZINC001571295917 946178901 /nfs/dbraw/zinc/17/89/01/946178901.db2.gz JIBDIJOAANHFQF-UHFFFAOYSA-N 0 2 390.404 -0.962 20 0 GBADLN O=C(CCC(=O)NC1CCCC1)NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001571295943 946179065 /nfs/dbraw/zinc/17/90/65/946179065.db2.gz KAURYZMEGOWXBE-UHFFFAOYSA-N 0 2 390.404 -0.916 20 0 GBADLN CC(=O)NC1CCC(N(C)C(=O)Cn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)CC1 ZINC001571296102 946185867 /nfs/dbraw/zinc/18/58/67/946185867.db2.gz NWMDQUFRVIBAIW-UHFFFAOYSA-N 0 2 390.404 -0.965 20 0 GBADLN Cn1c(=O)[nH]c(N2CCC23CN(C(=O)OC(C)(C)C)C3)c(-c2nn[nH]n2)c1=O ZINC001571296125 946184217 /nfs/dbraw/zinc/18/42/17/946184217.db2.gz OMOSTYOWPIKGJJ-UHFFFAOYSA-N 0 2 390.404 -0.547 20 0 GBADLN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2-c2nn[nH]n2)C1 ZINC001571296178 946186551 /nfs/dbraw/zinc/18/65/51/946186551.db2.gz PTLDECXXYQOWNT-GHMZBOCLSA-N 0 2 390.448 -0.225 20 0 GBADLN CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2-c2nn[nH]n2)C1 ZINC001571296179 946187167 /nfs/dbraw/zinc/18/71/67/946187167.db2.gz PTLDECXXYQOWNT-MNOVXSKESA-N 0 2 390.448 -0.225 20 0 GBADLN CCC[C@H](C)NC(=O)[C@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2-c2nn[nH]n2)C1 ZINC001571296180 946187189 /nfs/dbraw/zinc/18/71/89/946187189.db2.gz PTLDECXXYQOWNT-QWRGUYRKSA-N 0 2 390.448 -0.225 20 0 GBADLN CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2[nH]c(=O)n(C)c(=O)c2-c2nn[nH]n2)C1 ZINC001571296181 946187547 /nfs/dbraw/zinc/18/75/47/946187547.db2.gz PTLDECXXYQOWNT-WDEREUQCSA-N 0 2 390.448 -0.225 20 0 GBADLN Cn1c(=O)c(-c2nn[nH]n2)c(N2CCC(N3CCCOC3=O)CC2)n(C)c1=O ZINC001571296215 946186675 /nfs/dbraw/zinc/18/66/75/946186675.db2.gz QWLJJYJPMYMAIP-UHFFFAOYSA-N 0 2 390.404 -0.925 20 0 GBADLN Cc1n[nH]c(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]2O)c1[O-] ZINC001571296272 946190350 /nfs/dbraw/zinc/19/03/50/946190350.db2.gz SNJSDDHIWBVYLF-NXEZZACHSA-N 0 2 390.429 -0.360 20 0 GBADLN Cc1n[nH]c(C(=O)N[C@@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C[C@H]2O)c1[O-] ZINC001571296272 946190345 /nfs/dbraw/zinc/19/03/45/946190345.db2.gz SNJSDDHIWBVYLF-NXEZZACHSA-N 0 2 390.429 -0.360 20 0 GBADLN CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001571296315 946191752 /nfs/dbraw/zinc/19/17/52/946191752.db2.gz USIONEDKMFJQHS-JTQLQIEISA-N 0 2 390.404 -0.965 20 0 GBADLN CC(C)(C)NC(=O)[C@H]1CCCN1C(=O)Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001571296316 946192826 /nfs/dbraw/zinc/19/28/26/946192826.db2.gz USIONEDKMFJQHS-SNVBAGLBSA-N 0 2 390.404 -0.965 20 0 GBADLN Cn1c(=O)[nH]c(N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@H]32)c(-c2nn[nH]n2)c1=O ZINC001571296447 946194486 /nfs/dbraw/zinc/19/44/86/946194486.db2.gz YIUOAEBLRLMEAH-BDAKNGLRSA-N 0 2 390.404 -0.548 20 0 GBADLN Cn1c(=O)[nH]c(N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)c(-c2nn[nH]n2)c1=O ZINC001571296448 946193276 /nfs/dbraw/zinc/19/32/76/946193276.db2.gz YIUOAEBLRLMEAH-DTWKUNHWSA-N 0 2 390.404 -0.548 20 0 GBADLN CCCCN(C)C(=O)C1CCN(c2[nH]c(=O)n(C)c(=O)c2-c2nn[nH]n2)CC1 ZINC001571299158 946240532 /nfs/dbraw/zinc/24/05/32/946240532.db2.gz OPRGGTFRDYZWQN-UHFFFAOYSA-N 0 2 390.448 -0.271 20 0 GBADLN O=C(Cc1ccc(Cl)cc1)Cn1c(=O)c(-c2nn[nH]n2)cn(CCO)c1=O ZINC001571300131 946270977 /nfs/dbraw/zinc/27/09/77/946270977.db2.gz VRPJRZYZUVRLPP-UHFFFAOYSA-N 0 2 390.787 -0.352 20 0 GBADLN O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N[C@@H]1COc2cc(F)cc(F)c21 ZINC001571301748 946283302 /nfs/dbraw/zinc/28/33/02/946283302.db2.gz BWWYXSRYYUNIKL-SECBINFHSA-N 0 2 391.294 -0.343 20 0 GBADLN O=C(Cn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N[C@H]1COc2cc(F)cc(F)c21 ZINC001571301749 946282914 /nfs/dbraw/zinc/28/29/14/946282914.db2.gz BWWYXSRYYUNIKL-VIFPVBQESA-N 0 2 391.294 -0.343 20 0 GBADLN COC(=O)[C@@]1(C)CCCN(C(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001571301910 946288401 /nfs/dbraw/zinc/28/84/01/946288401.db2.gz HOJORJYDNKOSHH-INIZCTEOSA-N 0 2 391.388 -0.679 20 0 GBADLN COC(=O)[C@]1(C)CCCN(C(=O)CCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001571301911 946288001 /nfs/dbraw/zinc/28/80/01/946288001.db2.gz HOJORJYDNKOSHH-MRXNPFEDSA-N 0 2 391.388 -0.679 20 0 GBADLN Cc1cnc([C@@H](C)NC(=O)NCCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)s1 ZINC001571301925 946288558 /nfs/dbraw/zinc/28/85/58/946288558.db2.gz IAQIZGKNEGJUMB-MRVPVSSYSA-N 0 2 391.417 -0.046 20 0 GBADLN Cc1cnc([C@H](C)NC(=O)NCCn2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)s1 ZINC001571301926 946287131 /nfs/dbraw/zinc/28/71/31/946287131.db2.gz IAQIZGKNEGJUMB-QMMMGPOBSA-N 0 2 391.417 -0.046 20 0 GBADLN Cc1nc(N(C)C)sc1C(=O)NCCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001571301957 946286990 /nfs/dbraw/zinc/28/69/90/946286990.db2.gz JLRBNBJCBALHLS-UHFFFAOYSA-N 0 2 391.417 -0.610 20 0 GBADLN O=C(c1c(F)ccc(O)c1F)N1CC(n2cc(-c3nn[nH]n3)c(=O)[nH]c2=O)C1 ZINC001571302060 946292568 /nfs/dbraw/zinc/29/25/68/946292568.db2.gz MVGBMPDATLECGA-UHFFFAOYSA-N 0 2 391.294 -0.190 20 0 GBADLN O=C(NC[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)CCC1(F)F)c1nc[nH]n1 ZINC001571302118 946292433 /nfs/dbraw/zinc/29/24/33/946292433.db2.gz OZXJNFCTYBIMTF-MRVPVSSYSA-N 0 2 391.346 -0.334 20 0 GBADLN O=C(NC[C@@H]1CN(c2ccc(-c3nn[nH]n3)nn2)CCC1(F)F)c1ncn[nH]1 ZINC001571302118 946292427 /nfs/dbraw/zinc/29/24/27/946292427.db2.gz OZXJNFCTYBIMTF-MRVPVSSYSA-N 0 2 391.346 -0.334 20 0 GBADLN O=C(NC[C@H]1CN(c2ccc(-c3nn[nH]n3)nn2)CCC1(F)F)c1nc[nH]n1 ZINC001571302119 946292689 /nfs/dbraw/zinc/29/26/89/946292689.db2.gz OZXJNFCTYBIMTF-QMMMGPOBSA-N 0 2 391.346 -0.334 20 0 GBADLN O=C(NC[C@H]1CN(c2ccc(-c3nn[nH]n3)nn2)CCC1(F)F)c1ncn[nH]1 ZINC001571302119 946292682 /nfs/dbraw/zinc/29/26/82/946292682.db2.gz OZXJNFCTYBIMTF-QMMMGPOBSA-N 0 2 391.346 -0.334 20 0 GBADLN CCOC(=O)C[C@@H]1CCCN1C(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001571302197 946295144 /nfs/dbraw/zinc/29/51/44/946295144.db2.gz RBWFAEBFYKUKMW-JTQLQIEISA-N 0 2 391.388 -0.537 20 0 GBADLN CCOC(=O)C[C@H]1CCCN1C(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001571302198 946295306 /nfs/dbraw/zinc/29/53/06/946295306.db2.gz RBWFAEBFYKUKMW-SNVBAGLBSA-N 0 2 391.388 -0.537 20 0 GBADLN CO[C@]12CCC[C@@]1(C(=O)NCCn1cc(-c3nn[nH]n3)c(=O)[nH]c1=O)CCO2 ZINC001571302337 946301210 /nfs/dbraw/zinc/30/12/10/946301210.db2.gz UZTUGWDZQJCBLR-HOTGVXAUSA-N 0 2 391.388 -0.822 20 0 GBADLN O=c1[nH]c(=O)n(CCNS(=O)(=O)CC2CC(F)(F)C2)cc1-c1nn[nH]n1 ZINC001571302358 946300579 /nfs/dbraw/zinc/30/05/79/946300579.db2.gz VSBZZSNDSLZTIK-UHFFFAOYSA-N 0 2 391.360 -0.906 20 0 GBADLN CCN(C[C@@H](O)C(F)(F)F)C(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001571302362 946299402 /nfs/dbraw/zinc/29/94/02/946299402.db2.gz VWZDJYNRUWSDAC-MRVPVSSYSA-N 0 2 391.310 -0.709 20 0 GBADLN CCN(C[C@H](O)C(F)(F)F)C(=O)CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O ZINC001571302363 946300344 /nfs/dbraw/zinc/30/03/44/946300344.db2.gz VWZDJYNRUWSDAC-QMMMGPOBSA-N 0 2 391.310 -0.709 20 0 GBADLN O=C(CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N[C@@H](CO)CC1CCCCC1 ZINC001571302928 946318128 /nfs/dbraw/zinc/31/81/28/946318128.db2.gz DQFDXIPMGGKTEN-GFCCVEGCSA-N 0 2 391.432 -0.033 20 0 GBADLN O=C(CCn1cc(-c2nn[nH]n2)c(=O)[nH]c1=O)N[C@H](CO)CC1CCCCC1 ZINC001571302929 946318970 /nfs/dbraw/zinc/31/89/70/946318970.db2.gz DQFDXIPMGGKTEN-LBPRGKRZSA-N 0 2 391.432 -0.033 20 0 GBADLN Cc1c(-c2nn[nH]n2)c(=O)n(CC(=O)N[C@@H]2CCCC[C@@H]2C)c(=O)n1CCO ZINC001571303165 946325325 /nfs/dbraw/zinc/32/53/25/946325325.db2.gz JADQDJKRARVJHL-CMPLNLGQSA-N 0 2 391.432 -0.814 20 0 GBADLN 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