yzimmermann/tokenized-ZINC-1B · Datasets at Hugging Face

CCCCn1c(c(c(=O)[nH]c1=S)CN=Nc2nc3c(n2C)c(=O)n(c(=O)n3C)C)[O-]

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c1cc(c(cc1c2cc(=O)c3c(cc(c(c3o2)[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)[O-])O)O

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c1cc(cc(c1)Br)n2c(c(c(=O)[nH]c2=S)C=NCC(=O)NCC(=O)[O-])[O-]

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Cn1c(c(c(=O)n(c1=O)C)C=NCCCCCCN=Cc2c(n(c(=O)n(c2=O)C)C)[O-])[O-]

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CN1CCc2c1ccc(c2)[C@@H](CNC(=O)C(=O)NCC[NH+]3CCOCC3)[NH+]4CCOCC4

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CN1CCc2c1ccc(c2)[C@H](CNC(=O)C(=O)NCC[NH+]3CCOCC3)[NH+]4CCOCC4

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CN1CC[NH+](CC1)[C@@H](CNC(=O)C(=O)NCC[NH+]2CCOCC2)c3ccc(cc3)N(C)C

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CN1CC[NH+](CC1)[C@H](CNC(=O)C(=O)NCC[NH+]2CCOCC2)c3ccc(cc3)N(C)C

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CN(C)c1ccc(cc1)[C@@H](CNC(=O)C(=O)NCC[NH+]2CCOCC2)[NH+]3CCOCC3

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CN(C)c1ccc(cc1)[C@H](CNC(=O)C(=O)NCC[NH+]2CCOCC2)[NH+]3CCOCC3

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CC(=O)N1CCN(CC1)C(=O)C(=O)NC[C@H](c2ccc(cc2)N(C)C)[NH+]3CCOCC3

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CC(=O)N1CCN(CC1)C(=O)C(=O)NC[C@@H](c2ccc(cc2)N(C)C)[NH+]3CCOCC3

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Cn1c(nnn1)SCC(=O)N2CC[NH+](CC2)Cc3nnnn3c4ccc(cc4)OC

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c1cc(c(cc1c2cc(=O)c3c(cc(c(c3o2)[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)[O-])O)O

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c1cc(c(cc1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3coccc3=O)O)O)O)O)O

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c1cc(c(cc1c2cc(=O)c3c(o2)cc(cc3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O

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Cn1c(=O)cc(c2c1n(c(=O)n(c2=O)C)C)C(=O)N3CCN(CC3)c4ccc(cc4)OC

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c1cc(c(cc1c2cc(=O)c3c(cc(cc3o2)O[C@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CO)O)O)O)[O-])O)O

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Cn1c2c(c(=O)n(c1=O)C)n(c(n2)C[NH+]3CCN(CC3)c4ccc(cc4)OC)CC(=O)N

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c1cc(c(cc1c2cc(=O)c3c(o2)cc(c(c3[O-])[C@H]4[C@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O)O

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c1cc(c(cc1c2cc(=O)c3c(cc(c(c3o2)[C@H]4[C@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)[O-])O)O

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COc1c(c(c2c(c1O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC2=O)C[NH+]4CCCCC4)O

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COc1c(c(c2c(c1O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC2=O)C[NH+]4CCSCC4)O

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c1cc(c(cc1N=Cc2c([nH]c(=S)[nH]c2=O)[O-])O)N=Cc3c([nH]c(=S)[nH]c3=O)[O-]

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c1cc(c2c(c1[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)c4cc(cc(c4C2=O)[O-])C(=O)[O-])[O-]

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CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OC(=O)C)NC(=O)CN=N#N)OC(=O)C)OC(=O)C

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CC(=O)OC[C@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OC(=O)C)NC(=O)CN=N#N)OC(=O)C)OC(=O)C

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CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C)NC(=O)CN=N#N)OC(=O)C)OC(=O)C

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CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC(=O)C)NC(=O)CN=N#N)OC(=O)C)OC(=O)C

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CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C)NC(=O)CN=N#N)OC(=O)C)OC(=O)C

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CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC(=O)C)NC(=O)CN=N#N)OC(=O)C)OC(=O)C

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c1cc(c(cc1c2cc(=O)c3c(cc(c(c3o2)[C@H]4[C@@H]([C@@H]([C@H]([C@H](O4)CO)O)O)O)O)[O-])O)O

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CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)OC(=O)C)NC(=O)CN=N#N)OC(=O)C)OC(=O)C

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CC(=O)OC[C@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)OC(=O)C)NC(=O)CN=N#N)OC(=O)C)OC(=O)C

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CC(=O)OC[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C)NC(=O)CN=N#N)OC(=O)C)OC(=O)C

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CC(=O)OC[C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)OC(=O)C)NC(=O)CN=N#N)OC(=O)C)OC(=O)C

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CC(=O)OC[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)OC(=O)C)NC(=O)CN=N#N)OC(=O)C)OC(=O)C

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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

c1cc(c(cc1c2cc(=O)c3c(o2)cc(c(c3[O-])[C@H]4[C@@H]([C@@H]([C@H]([C@H](O4)CO)O)O)O)O)O)O

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c1cc(c(cc1c2cc(=O)c3c(o2)cc(c(c3[O-])[C@H]4[C@H]([C@@H]([C@H]([C@H](O4)CO)O)O)O)O)O)O

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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

CC(C)c1ccc(cc1)N2C(=O)/C(=C\[NH2+][C@H]3[C@@H]([C@H]([C@H](O[C@H]3O)CO)O)O)/C(=NC2=O)[O-]

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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

CC(C)c1ccc(cc1)N2C(=O)/C(=C\[NH2+][C@H]3[C@H]([C@H]([C@H](O[C@H]3O)CO)O)O)/C(=NC2=O)[O-]

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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

CC(C)c1ccc(cc1)N2C(=O)/C(=C\[NH2+][C@H]3[C@H]([C@@H]([C@H](O[C@H]3O)CO)O)O)/C(=NC2=O)[O-]

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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

CC(C)c1ccc(cc1)N2C(=O)/C(=C\[NH2+][C@H]3[C@@H]([C@@H]([C@H](O[C@H]3O)CO)O)O)/C(=NC2=O)[O-]

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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

c1cc(c(cc1c2cc(=O)c3c(cc(c(c3o2)[C@H]4[C@H]([C@@H]([C@H]([C@H](O4)CO)O)O)O)O)[O-])O)O

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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

CC(=O)OC[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)OC(=O)C)NC(=O)CN=N#N)OC(=O)C)OC(=O)C

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[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

CC(=O)OC[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)OC(=O)C)NC(=O)CN=N#N)OC(=O)C)OC(=O)C

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[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

COCCCN1C(=O)C2=S(C1=S)N(c3c(=C2)c(=O)n4c(=CC=C[CH]4)n3)CCCO

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[ 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

Cc1cc2c(cc1C)n(c-3nc(=O)[nH]c(=O)c3n2)C[C@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O)O)O

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c1cc(cc(c1)N(=O)=O)N[C@@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)CO)O[C@@H]3[C@@H]([C@@H]([C@@H]([C@@H](O3)CO)O)O)O)O)O

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c1cc(cc(c1)N(=O)=O)N[C@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)CO)O[C@@H]3[C@@H]([C@@H]([C@@H]([C@@H](O3)CO)O)O)O)O)O

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c1cc(cc(c1)N(=O)=O)N[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)CO)O[C@@H]3[C@@H]([C@@H]([C@@H]([C@@H](O3)CO)O)O)O)O)O

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C[N+](C)(C)CCOP(=O)([O-])OP(=O)([O-])OC[C@H]1[C@H]([C@@H]([C@H](O1)n2ccc(nc2=O)N)O)O

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c1cc(ccc1NC(=O)[C@H](CCCN/C(=[NH2+])/N)NC(=O)CNC(=O)[C@H](CCC(=O)[O-])[NH3+])N(=O)=O

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c1cc(ccc1NC(=O)[C@H](CCCN/C(=[NH2+])/N)NC(=O)CNC(=O)[C@H](CCC(=O)[O-])[NH3+])N(=O)=O

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C[N+](C/C=C\C[N+](CCO)(CCO)CCO)(C/C=C\C[N+](CCO)(CCO)CCO)C

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C[N+](C)(C/C=C/C[N+](CCO)(CCO)CCO)C/C=C\C[N+](CCO)(CCO)CCO

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C[N+](C/C=C/C[N+](CCO)(CCO)CCO)(C/C=C/C[N+](CCO)(CCO)CCO)C

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c1cc(ccc1NC(=O)[C@H](CCCN/C(=[NH2+])/N)NC(=O)CNC(=O)[C@@H]2CCC(=O)N2)N(=O)=O

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c1cc(ccc1NC(=O)[C@H](CCCN/C(=[NH2+])/N)NC(=O)CNC(=O)[C@@H]2CCC(=O)N2)N(=O)=O

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c1cc(c(cc1N(=O)=O)N(=O)=O)CC(=O)Nc2[nH]c(=O)c3c(n2)n(cn3)[C@H]4[C@H]([C@@H]([C@@H](O4)CO)O)O

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c1cc(c(cc1N(=O)=O)N(=O)=O)CC(=O)Nc2[nH]c(=O)c3c(n2)n(cn3)[C@H]4[C@H]([C@@H]([C@H](O4)CO)O)O

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c1cc(c(cc1N(=O)=O)N(=O)=O)CC(=O)Nc2[nH]c(=O)c3c(n2)n(cn3)[C@@H]4[C@H]([C@@H]([C@@H](O4)CO)O)O

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Cc1ccc(cc1N(=O)=O)N[C@@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)CO)O[C@@H]3[C@@H]([C@@H]([C@@H]([C@@H](O3)CO)O)O)O)O)O

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c1cc(ccc1CCN(=O)=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O)O)O

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c1cc(ccc1N(=O)=O)O[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)CO)O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)O)O)O

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c1cc(c(cc1N(=O)=O)Cl)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O

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c1cc(ccc1C(=O)OC[C@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)O[C@]3([C@H]([C@H]([C@@H](O3)CO)O)O)CO)O)O)O)N(=O)=O

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C[N+](C)(C)CCOP(=O)([O-])OP(=O)([O-])OC[C@H]1[C@@H]([C@H]([C@H](O1)n2ccc(nc2=O)N)O)O

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c1cc(ccc1C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@]3([C@H]([C@@H]([C@@H](O3)CO)O)O)CO)O)O)O)N(=O)=O

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c1cc(ccc1C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)O)N(=O)=O

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c1cc(ccc1C(=O)OC[C@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@]3([C@H]([C@H]([C@@H](O3)CO)O)O)CO)O)O)O)N(=O)=O

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c1cc(ccc1C(=O)OC[C@H]2[C@H]([C@H]([C@@H]([C@@H](O2)O[C@]3([C@H]([C@H]([C@@H](O3)CO)O)O)CO)O)O)O)N(=O)=O

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c1cc(ccc1C(=O)OC[C@H]2[C@H]([C@H]([C@H]([C@@H](O2)O[C@]3([C@H]([C@H]([C@@H](O3)CO)O)O)CO)O)O)O)N(=O)=O

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c1cc(c(cc1N[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)O)O)O)N(=O)=O)Cl

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c1cc(c(cc1N[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)O)O)O)N(=O)=O)Cl

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