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1
1.34k
Hepatobiliary disorders
int64
0
1
Metabolism and nutrition disorders
int64
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1
Product issues
int64
0
1
Eye disorders
int64
0
1
Investigations
int64
0
1
Musculoskeletal and connective tissue disorders
int64
0
1
Gastrointestinal disorders
int64
0
1
Social circumstances
int64
0
1
Immune system disorders
int64
0
1
Reproductive system and breast disorders
int64
0
1
Neoplasms benign, malignant and unspecified (incl cysts and polyps)
int64
0
1
General disorders and administration site conditions
int64
0
1
Endocrine disorders
int64
0
1
Surgical and medical procedures
int64
0
1
Vascular disorders
int64
0
1
Blood and lymphatic system disorders
int64
0
1
Skin and subcutaneous tissue disorders
int64
0
1
Congenital, familial and genetic disorders
int64
0
1
Infections and infestations
int64
0
1
Respiratory, thoracic and mediastinal disorders
int64
0
1
Psychiatric disorders
int64
0
1
Renal and urinary disorders
int64
0
1
Pregnancy, puerperium and perinatal conditions
int64
0
1
Ear and labyrinth disorders
int64
0
1
Cardiac disorders
int64
0
1
Nervous system disorders
int64
0
1
Injury, poisoning and procedural complications
int64
0
1
C(CNCCNCCNCCN)N
1
1
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1
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0
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CC(C)(C)C1=CC(=C(C=C1NC(=O)C2=CNC3=CC=CC=C3C2=O)O)C(C)(C)C
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CC[C@]12CC(=C)[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CCCC[C@H]34
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CCC12CC(=C)C3C(C1CC[C@]2(C#C)O)CCC4=CC(=O)CCC34
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C1C(C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N)O
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CC[C@H](C)[C@H]1C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CO)CC(C)C)CC3=CC=C(C=C3)O)CCC(=O)N)CC(C)C)CCC(=O)O)CC(=O)N)CC4=CC=C(C=C4)O)C(=O)NCC(=O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N8CCC[C@H]8C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)C(C)C)CC(C)C)CC9=CC=C(C=C9)O)CC(C)C)C)CCC(=O)O)C(C)C)CC(C)C)CC2=CN=CN2)CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC2=CC=CC=C2)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CO)[C@@H](C)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)CN
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CC1CC2C3CCC4=CC(=O)C=CC4([C@]3(C(CC2([C@]1(C(=O)CCl)O)C)O)F)C
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CCCCCCOC(=O)N=C(C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4)N
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CSCCC(C(=O)NCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(CC3=CC=CC=C3)C(=O)N)NC(=O)C(CC4=CC=C(C=C4)OS(=O)(=O)O)NC(=O)C(CC(=O)O)N
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C1CC(N(C1)C(=O)C2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N
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CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N
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C1CC[C@H]([C@@H](C1)CN2CCN(CC2)C3=NSC4=CC=CC=C43)CN5C(=O)[C@H]6[C@@H]7CC[C@@H](C7)[C@H]6C5=O
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CCCSC1=NC2=C(C(=N1)N[C@@H]3C[C@H]3C4=CC(=C(C=C4)F)F)N=NN2[C@@H]5C[C@@H]([C@H]([C@H]5O)O)OCCO
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C1CN(CC2=C1SC=C2)CC3=CC=CC=C3Cl
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Cl[Tl]
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CC1=NN=C(N1C2CC3CCC(C2)N3CC[C@@H](C4=CC=CC=C4)NC(=O)C5CCC(CC5)(F)F)C(C)C
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C[N+](C)(C)CC(CC(=O)O)O
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1
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1
CN1C2=C(C=C(C=C2)N(CCCl)CCCl)N=C1CCCC(=O)O
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CCN(CC)C(=O)/C(=C/C1=CC(=C(C(=C1)O)O)[N+](=O)[O-])/C#N.C[C@](CC1=CC(=C(C=C1)O)O)(C(=O)O)NN.C1=CC(=C(C=C1C[C@@H](C(=O)O)N)O)O
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C(CC(=O)O)CN
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C[C@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CCl)O)C)O)F)C)F
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CC(C)CN1C=NC2=C1C3=CC=CC=C3N=C2N
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CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O
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CC1=CC(=C(N1)C=C2C3=CC=CC=C3NC2=O)C
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C(CC(=O)O)C(=O)CN
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C1C(N(C2=C(N1)NC(=NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
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CCC12CC(=C)C3C(C1CC[C@]2(C#C)O)CCC4=CC(=O)CCC34.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O
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CN1C(CNC2=C1C(=O)N=C(N2)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O
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CCCCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CO
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CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H](CC7=CC=CC=C7)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC8=CN=CN8)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC9=CC=C(C=C9)O)NC(=O)C
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CCCCCC(C=CC1C(CC(=O)C1CC=CCCCC(=O)O)O)O
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CCCCCC(C=CC1C(CC2C1CC(=CCCCC(=O)O)O2)O)O
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CCCCCC(C=CC1C(CC(C1CC=CCCCC(=O)O)O)O)O
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CC(=O)O.C(C(C(C(C(C=O)O)O)O)O)O
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CC(=O)[O-]
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CC(=O)OCC[N+](C)(C)C
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C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O
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CCCN(CCC1=CC=CS1)C2CCC3=C(C2)C=CC=C3O
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C1=CO[C@@H]([C@H]([C@@H]1O)O)C(=O)O.Cl
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C(C1C(C(C(C(O1)O)O)O)O)O
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CCCCCC(C=CC1C(CC(=O)C1CCCCCCC(=O)O)O)O
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N
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CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C
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CC(=O)NCCC1=CC=CC2=C1C=C(C=C2)OC
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C(CC(C(=O)O)N)CN=C(N)N
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C1=CC=C(C=C1)CO
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C[N+](C)(C)CC(=O)[O-]
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0
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)[C@H](CC7=CNC8=CC=CC=C87)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]9CCCN9C(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)N
0
0
0
0
1
0
1
0
1
0
0
1
0
0
0
0
1
0
1
0
0
0
0
0
0
1
1
CCCC1=NC(=C2N1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC)C
1
0
0
1
1
1
1
0
1
1
0
1
0
0
1
0
1
0
1
1
1
1
0
1
1
1
1
CN1CC(=O)N2[C@@H](C1=O)CC3=C([C@H]2C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C36
0
0
0
1
1
1
1
0
1
1
0
1
0
0
1
0
1
0
1
1
1
1
0
1
1
1
1
I
0
0
0
1
1
1
1
0
1
1
1
1
1
0
1
1
1
1
1
1
1
0
0
0
1
1
1
[Ca+2]
0
1
0
0
0
0
1
0
1
0
0
1
0
1
1
0
1
0
1
0
1
0
0
0
1
1
0
C[C@]12CCC(=O)C=C1[C@@H]3C[C@@H]3[C@@H]4[C@@H]2CC[C@]5([C@H]4[C@@H]6C[C@@H]6[C@@]57CCC(=O)O7)C.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O
0
0
0
0
1
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1
0
0
1
0
0
0
0
1
0
1
0
0
0
1
0
0
0
1
1
0
C
0
1
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]
0
0
0
1
1
0
1
0
1
0
1
1
0
0
1
1
1
0
1
1
1
1
0
0
1
1
0
CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
1
0
0
0
1
0
1
0
0
0
0
1
0
0
0
0
1
0
0
0
0
0
0
0
0
1
0
CC1=NC=CN1.C1C(O1)CCl
1
1
0
0
1
1
1
0
0
0
0
1
1
0
1
0
1
0
1
0
1
0
0
0
1
1
0
C[N+](C)(C)CCO
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
C(C(=O)O)C(CC(=O)O)(C(=O)O)O
1
1
0
0
1
0
1
0
0
0
0
1
0
0
1
0
0
0
0
0
1
0
0
0
0
1
1
[Cl-]
0
1
0
0
1
0
1
0
0
0
0
1
0
0
1
0
1
0
1
0
0
0
0
0
0
0
0
COC1=CC=C(C=C1)N2C3=C(CCN(C3=O)C4=CC=C(C=C4)N5CCCCC5=O)C(=N2)C(=O)N
1
1
0
1
1
1
1
0
1
1
0
1
0
0
1
1
1
0
0
1
0
1
0
0
0
1
1
CCOC1=CC=CC=C1O[C@H]([C@@H]2CNCCO2)C3=CC=CC=C3
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1
0
1
1
1
1
1
1
1
0
1
0
0
1
1
1
0
1
1
1
1
0
1
1
1
1
C1=CC2=C(C(=C1)Cl)SC=C2COC(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)CN(C)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC
1
1
0
1
1
1
1
0
1
1
0
1
0
0
1
1
1
0
1
1
1
1
0
1
1
1
1
C1=CC=C(C(=C1)C(=O)O)O
1
1
0
0
1
0
1
0
0
0
1
1
0
0
0
0
1
0
0
1
1
0
0
1
0
1
1
CC1=CC=CN2C1=NC=C(C2=O)C3=NNN=N3
0
0
0
1
1
1
0
0
1
1
0
1
0
0
0
0
0
0
1
1
0
0
0
0
0
1
0
CC1=CC(=C(C(=C1C=CC(=CC=CC(=CC(=O)O)C)C)C)C)OC
1
1
0
1
1
1
1
1
1
1
1
1
0
0
1
1
1
1
1
1
1
1
0
1
1
1
1
C1C(C(=O)NO1)N
0
0
0
0
0
1
0
0
1
0
0
1
0
0
0
0
1
0
0
0
1
0
0
1
1
1
1
CCN(CC)CCOC(=O)C1=C(C=C(C=C1)N)Cl
0
1
0
1
1
1
1
0
0
0
0
0
0
1
1
0
1
1
0
1
1
0
0
1
1
1
1
CCOC1=CC=CC=C1OCCN[C@@H](C)CC2=CC(=C(C=C2)OC)S(=O)(=O)N.Cl
0
1
0
1
1
1
1
0
1
1
0
1
0
0
1
0
1
1
1
1
1
1
0
1
1
1
1
CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C
1
1
0
1
1
1
1
1
1
1
1
1
1
1
1
1
1
0
1
1
1
1
1
1
1
1
1
CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O
1
1
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
C(C(C(C(C(CO)O)O)O)O)O
0
1
0
1
1
1
1
0
1
0
0
1
0
0
1
0
1
0
1
1
1
1
0
1
1
1
1
CC[C@@H]([C@H](C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5C[C@](OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F
1
1
0
1
1
1
1
1
1
1
1
1
1
1
1
1
1
0
1
1
1
1
0
1
1
1
1
CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CCOC2)OP(=O)([O-])[O-])S(=O)(=O)C3=CC=C(C=C3)N.[Ca+2]
0
1
0
0
1
1
1
0
1
1
0
1
1
0
1
1
1
0
1
0
0
1
0
0
1
1
0
C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O
0
0
0
1
0
0
1
0
1
1
1
1
0
1
1
0
1
0
0
1
0
1
0
0
1
1
1
CCC1=NC=CC(=C1)C(=S)N
1
1
0
1
1
0
1
0
1
1
0
0
1
0
1
1
1
0
0
0
1
0
0
0
0
1
0
C1C(C(OC1N2C=NC(=NC2=O)N)CO)O
1
1
0
1
1
1
1
0
1
0
1
1
0
0
1
1
1
0
1
1
1
1
0
1
1
1
1
C1=CC=C(C=C1)C2=NC3=C(N=C2N)N=C(N=C3N)N
1
1
0
0
1
0
1
0
1
0
0
1
0
0
0
1
1
0
0
0
0
1
0
0
0
1
1
CC1=C(C(=O)N2CCCC(C2=N1)O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F
1
1
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
C(CCC(=O)O)CCN
0
0
0
1
1
1
1
0
1
0
0
1
0
0
1
1
1
0
0
1
1
1
0
1
1
1
1
CC(=O)NC(CS)C(=O)O
0
0
0
1
1
0
1
1
1
0
0
1
0
0
1
0
1
0
1
1
1
0
0
1
1
1
0
CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O
1
1
0
1
1
1
1
0
1
1
0
1
0
1
1
0
1
0
1
1
1
1
0
1
1
1
1
C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O
1
1
0
1
1
1
1
0
1
0
1
1
0
0
1
1
1
0
1
1
1
1
0
1
1
1
1
C(CS(=O)(=O)O)S
1
1
0
1
1
1
1
0
1
0
0
1
0
0
1
1
1
0
1
1
1
1
0
0
1
1
1
CNC1=CC=C(C=C1)/C=C/C2=CN=C(C=C2)OCCOCCOCC[18F]
0
0
0
0
1
1
1
0
0
0
1
1
0
0
1
0
1
0
0
0
1
0
0
0
0
1
0
CC(C(=O)O)O
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
1
1
0
0
0
0
0
0
0
0
0
CN1C2=C(C(=O)N(C1=O)C)NC=N2.C[N+](C)(C)CCO
0
1
0
0
0
1
1
0
0
0
0
0
1
0
1
1
1
0
0
1
1
1
0
0
1
1
1
C#CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
0
1
0
0
1
1
1
0
0
0
1
1
0
0
0
1
1
0
1
1
0
1
0
0
1
0
1
C1CC(=O)C(C(=O)C1)C(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]
1
1
0
1
1
0
1
0
0
1
1
1
0
0
1
1
1
1
1
1
1
0
0
0
1
1
1
C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)C3=CC=C(C=C3)OCCO)CCCl
0
0
0
0
0
1
0
0
0
1
1
0
0
0
1
0
1
0
0
0
0
0
0
0
1
1
0
[H+].[H+].CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.C1=CC=C(C=C1)COCC(C(=O)[O-])N(CCN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]
1
1
0
1
1
1
1
0
1
0
0
1
0
1
1
1
1
0
1
1
1
1
0
1
1
1
1
CN1C[C@@H]2C(C1)C3=CC=CC=C3OC4=C2C=C(C=C4)Cl
1
1
0
1
1
1
1
0
1
1
0
1
1
0
1
1
1
0
0
1
1
0
1
0
1
1
1
CS(=O)C
0
0
0
0
0
0
0
0
0
0
0
1
0
0
0
0
0
0
0
0
0
0
0
0
0
0
1
C1=CC(=C(C=C1CCN)O)O
0
0
0
0
1
0
1
0
0
1
0
1
0
0
1
0
1
0
1
1
1
1
0
0
1
1
0
CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)O
1
1
0
1
1
1
1
0
1
1
1
1
0
0
1
0
1
1
1
1
1
0
0
0
1
1
0
CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)O
1
1
0
1
1
1
1
0
1
1
1
1
0
0
1
0
1
1
1
1
1
0
0
1
1
1
1
C(CO)N
0
0
0
1
1
0
1
0
1
0
0
1
0
0
1
1
0
0
1
1
0
1
0
0
0
1
1
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O.C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O
1
0
0
1
1
1
1
0
1
1
1
1
0
0
1
0
1
0
1
1
1
0
0
0
1
1
0
CC(C)OC(=O)CCCC=CC[C@H]1[C@H](C[C@H]([C@@H]1C=CC(COC2=CC=CC(=C2)C(F)(F)F)O)O)O
0
1
0
1
1
1
1
0
1
1
1
1
0
0
1
0
1
0
1
1
1
1
0
1
1
1
1