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KWFYCQXSGVVXPX-DYEKYZERSA-N -2 0 396.352 -1.339 20 0 GAADRL CC(=O)N[C@@H](Cc1ccc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1)C(N)=O ZINC001227935620 1074070407 /nfs/dbraw/zinc/07/04/07/1074070407.db2.gz KWFYCQXSGVVXPX-MBNYWOFBSA-N -2 0 396.352 -1.339 20 0 GAADRL CC(=O)N[C@@H](Cc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc1)C(N)=O ZINC001227935622 1074070400 /nfs/dbraw/zinc/07/04/00/1074070400.db2.gz KWFYCQXSGVVXPX-OBJOEFQTSA-N -2 0 396.352 -1.339 20 0 GAADRL CC(=O)N[C@@H](Cc1ccc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc1)C(N)=O ZINC001227935623 1074070487 /nfs/dbraw/zinc/07/04/87/1074070487.db2.gz KWFYCQXSGVVXPX-SGMGOOAPSA-N -2 0 396.352 -1.339 20 0 GAADRL O=C([O-])C[C@H](O)C(=O)Oc1c(O)cc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-] ZINC001230146295 1074073116 /nfs/dbraw/zinc/07/31/16/1074073116.db2.gz JSVYNIVBPJVVKM-LURJTMIESA-N -3 0 386.312 -1.373 20 0 GAADRL O=C([O-])C[C@@H](O)C(=O)Oc1c(O)cc(S(=O)(=O)[O-])cc1S(=O)(=O)[O-] ZINC001230146298 1074073084 /nfs/dbraw/zinc/07/30/84/1074073084.db2.gz JSVYNIVBPJVVKM-ZCFIWIBFSA-N -3 0 386.312 -1.373 20 0 GAADRL NC(=O)c1nc(Br)cnc1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001230197356 1074072987 /nfs/dbraw/zinc/07/29/87/1074072987.db2.gz MGJJECIFIPRUDK-GSVOUGTGSA-N -2 0 386.051 -1.286 20 0 GAADRL NC(=O)c1nc(Br)cnc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001230197892 1074072942 /nfs/dbraw/zinc/07/29/42/1074072942.db2.gz XOYQNVSLNWPTQY-CLTAVNFZSA-N -2 0 392.118 -1.220 20 0 GAADRL NC(=O)c1nc(Br)cnc1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001230197893 1074073062 /nfs/dbraw/zinc/07/30/62/1074073062.db2.gz XOYQNVSLNWPTQY-NFNCENRGSA-N -2 0 392.118 -1.220 20 0 GAADRL NC(=O)c1nc(Br)cnc1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001230197894 1074073360 /nfs/dbraw/zinc/07/33/60/1074073360.db2.gz XOYQNVSLNWPTQY-NOWQDGDBSA-N -2 0 392.118 -1.220 20 0 GAADRL NC(=O)c1nc(Br)cnc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001230197895 1074073456 /nfs/dbraw/zinc/07/34/56/1074073456.db2.gz XOYQNVSLNWPTQY-WVBDSBKLSA-N -2 0 392.118 -1.220 20 0 GAADRL COC(=O)C1=NC(C(=O)OC)C([O-])=C1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001234353422 1074082067 /nfs/dbraw/zinc/08/20/67/1074082067.db2.gz ARXICEKGNJBBFV-SCSAIBSYSA-N -3 0 383.202 -1.331 20 0 GAADRL COC(=O)C1=NC(C(=O)OC)C([O-])=C1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001234355585 1074082035 /nfs/dbraw/zinc/08/20/35/1074082035.db2.gz QUHZKRBQYUTPSU-NVNXEXLPSA-N -3 0 389.269 -1.265 20 0 GAADRL COC(=O)C1=NC(C(=O)OC)C([O-])=C1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001234355586 1074082164 /nfs/dbraw/zinc/08/21/64/1074082164.db2.gz QUHZKRBQYUTPSU-RNHFCUEFSA-N -3 0 389.269 -1.265 20 0 GAADRL COC(=O)C1=NC(C(=O)OC)C([O-])=C1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001234355587 1074082062 /nfs/dbraw/zinc/08/20/62/1074082062.db2.gz QUHZKRBQYUTPSU-SPGJFGJESA-N -3 0 389.269 -1.265 20 0 GAADRL COC(=O)C1=NC(C(=O)OC)C([O-])=C1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001234355588 1074082024 /nfs/dbraw/zinc/08/20/24/1074082024.db2.gz QUHZKRBQYUTPSU-VHWMUFPASA-N -3 0 389.269 -1.265 20 0 GAADRL O=c1c([O-])c(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])c(=O)c(=O)c1=O ZINC001234376114 1074082415 /nfs/dbraw/zinc/08/24/15/1074082415.db2.gz NWEQGQKKVOAVEJ-SSDOTTSWSA-N -2 0 377.327 -3.324 20 0 GAADRL O=c1c([O-])c(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])c(=O)c(=O)c1=O ZINC001234376119 1074082358 /nfs/dbraw/zinc/08/23/58/1074082358.db2.gz NWEQGQKKVOAVEJ-ZETCQYMHSA-N -2 0 377.327 -3.324 20 0 GAADRL NC(=O)c1ccc2nc(=O)[n-]c(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c2c1 ZINC001234516810 1074082826 /nfs/dbraw/zinc/08/28/26/1074082826.db2.gz YFBUICIJUIKNNJ-GMSGAONNSA-N -3 0 379.281 -1.124 20 0 GAADRL NC(=O)c1ccc2nc(=O)[n-]c(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])c2c1 ZINC001234516814 1074083068 /nfs/dbraw/zinc/08/30/68/1074083068.db2.gz YFBUICIJUIKNNJ-OIBJUYFYSA-N -3 0 379.281 -1.124 20 0 GAADRL NC(=O)c1ccc2nc(=O)[n-]c(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])c2c1 ZINC001234516816 1074082892 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1074191332 /nfs/dbraw/zinc/19/13/32/1074191332.db2.gz VPIRWTVVSJYSQU-BTZCVUIRSA-N -2 0 395.364 -4.294 20 0 GAADRL COC(=O)CS(=O)(=O)[N-][C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001259032632 1074191141 /nfs/dbraw/zinc/19/11/41/1074191141.db2.gz VPIRWTVVSJYSQU-GPMKSPRZSA-N -2 0 395.364 -4.294 20 0 GAADRL CC(C)CS(=O)(=O)[N-][C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001259889671 1074194631 /nfs/dbraw/zinc/19/46/31/1074194631.db2.gz HRVYDZDNQLYFHQ-IGORNWKESA-N -2 0 379.409 -2.811 20 0 GAADRL CC(C)CS(=O)(=O)[N-][C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001259889674 1074194540 /nfs/dbraw/zinc/19/45/40/1074194540.db2.gz HRVYDZDNQLYFHQ-VVULQXIFSA-N -2 0 379.409 -2.811 20 0 GAADRL COCCS(=O)(=O)[N-][C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001259976177 1074195837 /nfs/dbraw/zinc/19/58/37/1074195837.db2.gz FKBZAIBSZGQIGJ-JGKVKWKGSA-N -2 0 381.381 -3.821 20 0 GAADRL COCCS(=O)(=O)[N-][C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001259976178 1074195713 /nfs/dbraw/zinc/19/57/13/1074195713.db2.gz FKBZAIBSZGQIGJ-OKNNCHMLSA-N -2 0 381.381 -3.821 20 0 GAADRL C[C@H]1[C@H](NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)C(=O)N1S(=O)(=O)[O-] ZINC001260401729 1074198615 /nfs/dbraw/zinc/19/86/15/1074198615.db2.gz CPXVWIKWRXVJTB-CDUCUWFYSA-N -2 0 380.356 -1.229 20 0 GAADRL Cn1[n-]nnc1=NC(=O)C1=NO[C@@H]2CN(C(=O)Cn3nn[n-]c3=S)C[C@H]12 ZINC001273170150 1074883129 /nfs/dbraw/zinc/88/31/29/1074883129.db2.gz JNTMAJGAIZORKH-NTSWFWBYSA-N -2 0 379.366 -3.241 20 0 GAADRL Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(C(=O)Cn1nn[n-]c1=S)C2 ZINC001273170194 1074883146 /nfs/dbraw/zinc/88/31/46/1074883146.db2.gz KLBINOJLZAUYKR-UHFFFAOYSA-N -2 0 376.366 -2.575 20 0 GAADRL Cn1[n-]c(C(=O)NC[C@H]2CN(C(=O)c3cc(=O)n(C)[n-]3)CCN2C)cc1=O ZINC001330871990 1074925411 /nfs/dbraw/zinc/92/54/11/1074925411.db2.gz IBFNZNXIWIAPNJ-JTQLQIEISA-N -2 0 377.405 -1.249 20 0 GAADRL Cn1[n-]c(C(=O)NC[C@@H]2CN(C(=O)c3cc(=O)n(C)[n-]3)CCN2C)cc1=O ZINC001330871991 1074925373 /nfs/dbraw/zinc/92/53/73/1074925373.db2.gz IBFNZNXIWIAPNJ-SNVBAGLBSA-N -2 0 377.405 -1.249 20 0 GAADRL Cn1[n-]c(C(=O)NCCN2CCN(C(=O)c3cc(=O)n(C)[n-]3)CC2)cc1=O ZINC001334409009 1075043020 /nfs/dbraw/zinc/04/30/20/1075043020.db2.gz NSKQYDKLHNMWTG-UHFFFAOYSA-N -2 0 377.405 -1.247 20 0 GAADRL CC(C)(C(N)=O)N1CCN(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CC1 ZINC001573788758 949211497 /nfs/dbraw/zinc/21/14/97/949211497.db2.gz WIIYJAQHEIXOIK-UHFFFAOYSA-N -2 0 386.420 -1.004 20 0 GAADRL CN(CC(=O)N1CCN(C)CC1)Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001579374999 1075571272 /nfs/dbraw/zinc/57/12/72/1075571272.db2.gz NFNLGESBTWHLKG-UHFFFAOYSA-N -2 0 386.420 -1.179 20 0 GAADRL CNC(=O)CN1CCCN(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CC1 ZINC001579396891 1075586339 /nfs/dbraw/zinc/58/63/39/1075586339.db2.gz XBBQHPLLXYDCAC-UHFFFAOYSA-N -2 0 386.420 -1.131 20 0 GAADRL CNC(=O)NC[C@H]1COCCN1Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001579412719 1075604510 /nfs/dbraw/zinc/60/45/10/1075604510.db2.gz SXJIAKSTTJKJME-JTQLQIEISA-N -2 0 388.392 -1.255 20 0 GAADRL CNC(=O)NC[C@@H]1COCCN1Cc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001579412720 1075604626 /nfs/dbraw/zinc/60/46/26/1075604626.db2.gz SXJIAKSTTJKJME-SNVBAGLBSA-N -2 0 388.392 -1.255 20 0 GAADRL CNC(=O)NC[C@H]1CN(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CCO1 ZINC001579412858 1075604933 /nfs/dbraw/zinc/60/49/33/1075604933.db2.gz ZELWXSKTVBQCOY-JTQLQIEISA-N -2 0 388.392 -1.255 20 0 GAADRL CNC(=O)NC[C@@H]1CN(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)CCO1 ZINC001579412859 1075604929 /nfs/dbraw/zinc/60/49/29/1075604929.db2.gz ZELWXSKTVBQCOY-SNVBAGLBSA-N -2 0 388.392 -1.255 20 0 GAADRL CS(=O)(=O)N[C@@H]1CCN(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)C1 ZINC001580165775 1075702721 /nfs/dbraw/zinc/70/27/21/1075702721.db2.gz SWCIWEKZQIPTMP-MRVPVSSYSA-N -2 0 379.406 -1.262 20 0 GAADRL CS(=O)(=O)N[C@H]1CCN(Cc2cc(=O)n3[n-]cc(-c4nnn[n-]4)c3n2)C1 ZINC001580165792 1075702889 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