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/nfs/dbraw/zinc/94/82/14/1071948214.db2.gz PTYUGZDNAUXBKI-HXUWFJFHSA-N -1 0 426.433 0.434 20 0 ICADRM CNS(=O)(=O)NC1CCN(C(=O)c2cccc([N-]S(=O)(=O)C(F)(F)F)c2)CC1 ZINC001568455910 1071948762 /nfs/dbraw/zinc/94/87/62/1071948762.db2.gz WDSYGDLOASSZSN-UHFFFAOYSA-N -1 0 444.457 0.607 20 0 ICADRM Cn1ccc(=O)n(CCCNC(=O)c2cccc([N-]S(=O)(=O)C(F)(F)F)c2)c1=O ZINC001568554460 1071951229 /nfs/dbraw/zinc/95/12/29/1071951229.db2.gz QYMCSCDBMGTOJR-UHFFFAOYSA-N -1 0 434.396 0.629 20 0 ICADRM Cn1ccc(=O)n(CCCNC(=O)c2cc3ccccc3cc2[N-]S(C)(=O)=O)c1=O ZINC001568554743 1071951193 /nfs/dbraw/zinc/95/11/93/1071951193.db2.gz WTNNQWHXBXUUJU-UHFFFAOYSA-N -1 0 430.486 0.892 20 0 ICADRM CCN(CC)C(=O)CN1CCC(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2[O-])CC1 ZINC001568757293 1071955427 /nfs/dbraw/zinc/95/54/27/1071955427.db2.gz NUDILJNQOOLMES-UHFFFAOYSA-N -1 0 440.566 0.705 20 0 ICADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N3CCCC[C@H]3COC(=O)N(C)C)c(CCO)c2=O)n1 ZINC001568777592 1071956351 /nfs/dbraw/zinc/95/63/51/1071956351.db2.gz 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CNS(=O)(=O)N1CCN(C(=O)c2cccc(I)c2[O-])CC1 ZINC001568985987 1071962856 /nfs/dbraw/zinc/96/28/56/1071962856.db2.gz RXVZGTYHFUVPKS-UHFFFAOYSA-N -1 0 425.248 0.219 20 0 ICADRM CCOC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1[n-]n(-c2nc(C)cc(C)n2)c(=O)c1CCO ZINC001569023751 1071963777 /nfs/dbraw/zinc/96/37/77/1071963777.db2.gz KDIQZXKSPDXEGI-ZBFHGGJFSA-N -1 0 431.493 0.959 20 0 ICADRM CS(C)(=O)=NS(=O)(=O)N1CCN(C(=O)c2nn(-c3cccc(F)c3)cc2[O-])CC1 ZINC001569039692 1071965557 /nfs/dbraw/zinc/96/55/57/1071965557.db2.gz WTLYWRZCAXDBLW-UHFFFAOYSA-N -1 0 445.498 0.447 20 0 ICADRM Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)cn1 ZINC001569043222 1071967185 /nfs/dbraw/zinc/96/71/85/1071967185.db2.gz AWCPEZAVJHYWRZ-CYBMUJFWSA-N -1 0 441.460 0.398 20 0 ICADRM Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)C[N-]S(=O)(=O)c2c(F)cccc2F)cn1 ZINC001569043223 1071967108 /nfs/dbraw/zinc/96/71/08/1071967108.db2.gz AWCPEZAVJHYWRZ-ZDUSSCGKSA-N -1 0 441.460 0.398 20 0 ICADRM Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)Cn2c(=O)c3ccccc3[n-]c2=S)cn1 ZINC001569044883 1071967650 /nfs/dbraw/zinc/96/76/50/1071967650.db2.gz XZUOTWYPIZELIY-AWEZNQCLSA-N -1 0 426.502 0.840 20 0 ICADRM Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)Cn2c(=O)c3ccccc3[n-]c2=S)cn1 ZINC001569044884 1071967618 /nfs/dbraw/zinc/96/76/18/1071967618.db2.gz XZUOTWYPIZELIY-CQSZACIVSA-N -1 0 426.502 0.840 20 0 ICADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC001569113506 1071970192 /nfs/dbraw/zinc/97/01/92/1071970192.db2.gz MUBGIZGLZJJAGB-LLVKDONJSA-N -1 0 438.257 0.940 20 0 ICADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC001569113507 1071970133 /nfs/dbraw/zinc/97/01/33/1071970133.db2.gz MUBGIZGLZJJAGB-NSHDSACASA-N -1 0 438.257 0.940 20 0 ICADRM O=C(NC[C@]1(O)CCS(=O)(=O)C1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC001569150842 1071971275 /nfs/dbraw/zinc/97/12/75/1071971275.db2.gz OPNBLAFRYABSQK-GOSISDBHSA-N -1 0 442.490 0.906 20 0 ICADRM O=C(NC[C@@]1(O)CCS(=O)(=O)C1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC001569150843 1071971230 /nfs/dbraw/zinc/97/12/30/1071971230.db2.gz OPNBLAFRYABSQK-SFHVURJKSA-N -1 0 442.490 0.906 20 0 ICADRM Cc1cc(C(=O)NC[C@]2(O)CCS(=O)(=O)C2)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC001569155015 1071971675 /nfs/dbraw/zinc/97/16/75/1071971675.db2.gz UAHCEOPKKBJSBK-CYBMUJFWSA-N -1 0 430.426 0.536 20 0 ICADRM Cc1cc(C(=O)NC[C@@]2(O)CCS(=O)(=O)C2)ccc1[N-]S(=O)(=O)C(F)(F)F ZINC001569155016 1071971709 /nfs/dbraw/zinc/97/17/09/1071971709.db2.gz UAHCEOPKKBJSBK-ZDUSSCGKSA-N -1 0 430.426 0.536 20 0 ICADRM COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CCC(NC(=O)N(C)C)CC3)cc2)[n-]1 ZINC001569396138 1071980661 /nfs/dbraw/zinc/98/06/61/1071980661.db2.gz RSMVBRRMDFVGOJ-UHFFFAOYSA-N -1 0 429.477 0.757 20 0 ICADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N3CCC([C@@H]4NC(=O)C4(C)C)CC3)c(CCO)c2=O)n1 ZINC001569485765 1071982803 /nfs/dbraw/zinc/98/28/03/1071982803.db2.gz FSGMNLSPLCBMMU-KRWDZBQOSA-N -1 0 442.520 0.484 20 0 ICADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N3CCC([C@H]4NC(=O)C4(C)C)CC3)c(CCO)c2=O)n1 ZINC001569485766 1071983484 /nfs/dbraw/zinc/98/34/84/1071983484.db2.gz FSGMNLSPLCBMMU-QGZVFWFLSA-N -1 0 442.520 0.484 20 0 ICADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N3CCC(OC(=O)N(C)C)CC3)c(CCO)c2=O)n1 ZINC001569703733 1071988161 /nfs/dbraw/zinc/98/81/61/1071988161.db2.gz UPROGMMNWKGSFE-UHFFFAOYSA-N -1 0 432.481 0.410 20 0 ICADRM CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)c1cc(S(N)(=O)=O)ccc1[O-])CCO2 ZINC001569749797 1071988996 /nfs/dbraw/zinc/98/89/96/1071988996.db2.gz DQJLARXXPSGYDG-UHFFFAOYSA-N -1 0 427.479 0.502 20 0 ICADRM O=C(CN1CCN(Cc2ccc(Br)cc2F)CC1)Nn1c(=O)[n-][nH]c1=O ZINC001569827261 1071989626 /nfs/dbraw/zinc/98/96/26/1071989626.db2.gz GSXFTZRRTOBZFS-UHFFFAOYSA-N -1 0 429.250 0.479 20 0 ICADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC001569827599 1071989641 /nfs/dbraw/zinc/98/96/41/1071989641.db2.gz XCLZOOSHXRRPDQ-CMPLNLGQSA-N -1 0 445.295 0.816 20 0 ICADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 ZINC001569827600 1071989570 /nfs/dbraw/zinc/98/95/70/1071989570.db2.gz XCLZOOSHXRRPDQ-JQWIXIFHSA-N -1 0 445.295 0.816 20 0 ICADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC001569827601 1071989690 /nfs/dbraw/zinc/98/96/90/1071989690.db2.gz XCLZOOSHXRRPDQ-PWSUYJOCSA-N -1 0 445.295 0.816 20 0 ICADRM O=C(Nn1c(=O)[n-][nH]c1=O)[C@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 ZINC001569827602 1071989716 /nfs/dbraw/zinc/98/97/16/1071989716.db2.gz XCLZOOSHXRRPDQ-ZYHUDNBSSA-N -1 0 445.295 0.816 20 0 ICADRM CC(C)(c1nnc(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)o1)S(C)(=O)=O ZINC001569899533 1071991215 /nfs/dbraw/zinc/99/12/15/1071991215.db2.gz VOAVGGRNYVGWDM-SECBINFHSA-N -1 0 426.417 0.880 20 0 ICADRM CC(C)(c1nnc(C(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)o1)S(C)(=O)=O ZINC001569899534 1071991308 /nfs/dbraw/zinc/99/13/08/1071991308.db2.gz VOAVGGRNYVGWDM-VIFPVBQESA-N -1 0 426.417 0.880 20 0 ICADRM O=C(c1ccc([N-]S(=O)(=O)c2cccs2)cc1O)N1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC001570103117 1071995975 /nfs/dbraw/zinc/99/59/75/1071995975.db2.gz FBGXUHFEUKCZJO-UKRRQHHQSA-N -1 0 437.499 0.984 20 0 ICADRM COC(=O)CCNC(=O)[C@H]1CS[C@H](C)N1C(=O)c1nc[n-]c(=O)c1Br ZINC001570124554 1071996994 /nfs/dbraw/zinc/99/69/94/1071996994.db2.gz SYSFHONYSWEVLN-HTQZYQBOSA-N -1 0 433.284 0.528 20 0 ICADRM COC(=O)CCNC(=O)[C@H]1CS[C@@H](C)N1C(=O)c1nc[n-]c(=O)c1Br ZINC001570124555 1071997122 /nfs/dbraw/zinc/99/71/22/1071997122.db2.gz SYSFHONYSWEVLN-JGVFFNPUSA-N -1 0 433.284 0.528 20 0 ICADRM COC(=O)CCNC(=O)[C@@H]1CS[C@H](C)N1C(=O)c1nc[n-]c(=O)c1Br ZINC001570124556 1071997088 /nfs/dbraw/zinc/99/70/88/1071997088.db2.gz SYSFHONYSWEVLN-SFYZADRCSA-N -1 0 433.284 0.528 20 0 ICADRM COC(=O)CCNC(=O)[C@@H]1CS[C@@H](C)N1C(=O)c1nc[n-]c(=O)c1Br ZINC001570124557 1071996894 /nfs/dbraw/zinc/99/68/94/1071996894.db2.gz SYSFHONYSWEVLN-YUMQZZPRSA-N -1 0 433.284 0.528 20 0 ICADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC001570156357 1071998204 /nfs/dbraw/zinc/99/82/04/1071998204.db2.gz FXWKFPZMDRPFFK-LLVKDONJSA-N -1 0 438.257 0.940 20 0 ICADRM O=C(Cn1[n-]cc2c(=O)ncnc1-2)NC[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC001570156358 1071998239 /nfs/dbraw/zinc/99/82/39/1071998239.db2.gz FXWKFPZMDRPFFK-NSHDSACASA-N -1 0 438.257 0.940 20 0 ICADRM CN(C)S(=O)(=O)c1ccc([O-])c(C(=O)NCC2(N3CCOCC3)CCOCC2)c1 ZINC001570189945 1071999148 /nfs/dbraw/zinc/99/91/48/1071999148.db2.gz TUMLTVQXXXLWGB-UHFFFAOYSA-N -1 0 427.523 0.254 20 0 ICADRM CC(C)NS(=O)(=O)N1CCN(C(=O)c2ccc(C[N-]C(=O)C(F)(F)F)o2)CC1 ZINC001570239389 1072002573 /nfs/dbraw/zinc/00/25/73/1072002573.db2.gz MGCJMYUBFFLUNG-UHFFFAOYSA-N -1 0 426.417 0.459 20 0 ICADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 ZINC001570242950 1072004035 /nfs/dbraw/zinc/00/40/35/1072004035.db2.gz YEBFXVWJXFQTOW-OLZOCXBDSA-N -1 0 430.493 0.761 20 0 ICADRM CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 ZINC001570242951 1072003915 /nfs/dbraw/zinc/00/39/15/1072003915.db2.gz YEBFXVWJXFQTOW-STQMWFEESA-N -1 0 430.493 0.761 20 0 ICADRM NS(=O)(=O)C1CN(C(=O)c2ccccc2[N-]S(=O)(=O)c2cc(F)ccc2F)C1 ZINC001570262498 1072004829 /nfs/dbraw/zinc/00/48/29/1072004829.db2.gz JLNNRRZMWPYDOY-UHFFFAOYSA-N -1 0 431.442 0.879 20 0 ICADRM NC(=O)c1cn(CCCCNC(=O)c2cccc(I)c2[O-])nn1 ZINC001570283812 1072006849 /nfs/dbraw/zinc/00/68/49/1072006849.db2.gz OSLSYRANBOPFSD-UHFFFAOYSA-N -1 0 429.218 0.897 20 0 ICADRM CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)c1nc[n-]c(=O)c1Br ZINC001570283847 1072006974 /nfs/dbraw/zinc/00/69/74/1072006974.db2.gz OYFONUSVCFBENZ-MRVPVSSYSA-N -1 0 436.284 0.526 20 0 ICADRM CC(C)(C)OC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)c1nc[n-]c(=O)c1Br ZINC001570283850 1072006808 /nfs/dbraw/zinc/00/68/08/1072006808.db2.gz OYFONUSVCFBENZ-QMMMGPOBSA-N -1 0 436.284 0.526 20 0 ICADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N3CCS(=O)(=O)C[C@H]3C3CCC3)c(CCO)c2=O)n1 ZINC001570403636 1072011578 /nfs/dbraw/zinc/01/15/78/1072011578.db2.gz VLMUDXLRJHKTTL-INIZCTEOSA-N -1 0 449.533 0.147 20 0 ICADRM Cc1cc(C)nc(-n2[n-]c(C(=O)N3CCS(=O)(=O)C[C@@H]3C3CCC3)c(CCO)c2=O)n1 ZINC001570403637 1072012062 /nfs/dbraw/zinc/01/20/62/1072012062.db2.gz VLMUDXLRJHKTTL-MRXNPFEDSA-N -1 0 449.533 0.147 20 0 ICADRM Cn1cc(S(=O)(=O)NCC(=O)N2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)cn1 ZINC001570487467 1072018351 /nfs/dbraw/zinc/01/83/51/1072018351.db2.gz CEKYQIDKAMWXTJ-GFCCVEGCSA-N -1 0 445.423 0.335 20 0 ICADRM Cn1cc(S(=O)(=O)NCC(=O)N2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)cn1 ZINC001570487468 1072018245 /nfs/dbraw/zinc/01/82/45/1072018245.db2.gz CEKYQIDKAMWXTJ-LBPRGKRZSA-N -1 0 445.423 0.335 20 0 ICADRM Cn1cnc(S(=O)(=O)NCC(=O)N2c3ccccc3C[C@@H]2C[N-]C(=O)C(F)(F)F)c1 ZINC001570487715 1072018153 /nfs/dbraw/zinc/01/81/53/1072018153.db2.gz JRULTSROEXRNMR-GFCCVEGCSA-N -1 0 445.423 0.335 20 0 ICADRM Cn1cnc(S(=O)(=O)NCC(=O)N2c3ccccc3C[C@H]2C[N-]C(=O)C(F)(F)F)c1 ZINC001570487716 1072018272 /nfs/dbraw/zinc/01/82/72/1072018272.db2.gz JRULTSROEXRNMR-LBPRGKRZSA-N -1 0 445.423 0.335 20 0 ICADRM Cn1c(=O)c2ccc(C(=O)N3CCC(NC(=O)N4CCOCC4)CC3)cc2[n-]c1=S ZINC001570543231 1072020872 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