drug
string | solution
int64 | problem
string | id
int64 |
|---|---|---|---|
CC(C)(C)OC(=O)CCCc1ccc(N(CCCl)CCCl)cc1
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
CC(C)(C)OC(=O)CCCc1ccc(N(CCCl)CCCl)cc1
| 0
|
CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
CC1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23
| 1
|
Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12
| 2
|
CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)C(=O)C1=O
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSc4nnnn4C)CS[C@H]23)c2ccc(O)cc2)C(=O)C1=O
| 3
|
CN(C)[C@@H]1C(=O)/C(=C(/O)NCN2CCCC2)C(=O)[C@@]2(O)C(=O)C3=C(O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
CN(C)[C@@H]1C(=O)/C(=C(/O)NCN2CCCC2)C(=O)[C@@]2(O)C(=O)C3=C(O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12
| 4
|
Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O
| 5
|
NC(N)=NC(=O)c1nc(Cl)c(N)nc1N
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
NC(N)=NC(=O)c1nc(Cl)c(N)nc1N
| 6
|
CN1Cc2c(-c3noc(C(C)(O)CO)n3)ncn2-c2cccc(Cl)c2C1=O
| 0
|
Does the following compound cross the Blood Brain Barrier (BBB)?
CN1Cc2c(-c3noc(C(C)(O)CO)n3)ncn2-c2cccc(Cl)c2C1=O
| 7
|
Cc1cn([C@H]2C[C@H](F)[C@@H](CO)O2)c(=O)[nH]c1=O
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
Cc1cn([C@H]2C[C@H](F)[C@@H](CO)O2)c(=O)[nH]c1=O
| 8
|
ClCCl
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
ClCCl
| 9
|
CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(O)C(Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)c1ccc2ccccc2n1
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(O)C(Cc1ccccc1)NC(=O)C(CC(N)=O)NC(=O)c1ccc2ccccc2n1
| 10
|
CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1
| 11
|
CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nnn(CC)c2=O)CC1
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nnn(CC)c2=O)CC1
| 12
|
CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1
| 13
|
CN1C2CCC1CC(OC(=O)[C@H](CO)c1ccccc1)C2
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
CN1C2CCC1CC(OC(=O)[C@H](CO)c1ccccc1)C2
| 14
|
COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1
| 15
|
Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1
| 16
|
CCCC(C)C
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
CCCC(C)C
| 17
|
C[C@H](N)Cc1ccccc1
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
C[C@H](N)Cc1ccccc1
| 18
|
CN(C)Cc1ccc(CSCCNc2nc(=O)c(Cc3ccc4ccccc4c3)c[nH]2)o1
| 0
|
Does the following compound cross the Blood Brain Barrier (BBB)?
CN(C)Cc1ccc(CSCCNc2nc(=O)c(Cc3ccc4ccccc4c3)c[nH]2)o1
| 19
|
CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccs2)CC1
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccs2)CC1
| 20
|
CCNC(=NC#N)NCCSCc1ncccc1Br
| 0
|
Does the following compound cross the Blood Brain Barrier (BBB)?
CCNC(=NC#N)NCCSCc1ncccc1Br
| 21
|
Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1
| 22
|
CN1CCN(C2=c3ccccc3=Nc3ccc(Cl)cc3N2)CC1
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
CN1CCN(C2=c3ccccc3=Nc3ccc(Cl)cc3N2)CC1
| 23
|
FC(F)(F)c1ccc(N2CCNCC2)nc1Cl
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
FC(F)(F)c1ccc(N2CCNCC2)nc1Cl
| 24
|
C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23
| 25
|
CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccsc2C1=O
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
CN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccsc2C1=O
| 26
|
CCOC(=O)c1cncn1C(C)c1ccccc1
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
CCOC(=O)c1cncn1C(C)c1ccccc1
| 27
|
CN(C)c1cc(-c2nc(N)n[nH]2)ccn1
| 0
|
Does the following compound cross the Blood Brain Barrier (BBB)?
CN(C)c1cc(-c2nc(N)n[nH]2)ccn1
| 28
|
CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1
| 29
|
Nc1ccc(-c2nc3ccc(O)cc3s2)cc1I
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
Nc1ccc(-c2nc3ccc(O)cc3s2)cc1I
| 30
|
CN1[C@H]2CCC[C@@H]1CC(NC(=O)c1nn(C)c3ccccc13)C2
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
CN1[C@H]2CCC[C@@H]1CC(NC(=O)c1nn(C)c3ccccc13)C2
| 31
|
CS(=O)(=O)c1ccc([C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl)cc1
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
CS(=O)(=O)c1ccc([C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl)cc1
| 32
|
Cc1cccc(C)c1OCC(C)N
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
Cc1cccc(C)c1OCC(C)N
| 33
|
CN(C)Cc1ccc(-c2cccc(NC3N=CC=C3[N+](=O)[O-])c2)o1
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
CN(C)Cc1ccc(-c2cccc(NC3N=CC=C3[N+](=O)[O-])c2)o1
| 34
|
Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](O)c3ccccc3)[C@H]2SC1
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](O)c3ccccc3)[C@H]2SC1
| 35
|
CN(C)CCc1ccccn1
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
CN(C)CCc1ccccn1
| 36
|
C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12
| 37
|
CCc1ccccc1
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
CCc1ccccc1
| 38
|
NC(N)=Nc1nc(-c2cccc(N)c2)cs1
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
NC(N)=Nc1nc(-c2cccc(N)c2)cs1
| 39
|
CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1
| 40
|
CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(C)=O)c1
| 41
|
NCCCN1c2ccccc2Sc2ccc(Cl)cc21
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
NCCCN1c2ccccc2Sc2ccc(Cl)cc21
| 42
|
CNCCc1ccccn1
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
CNCCc1ccccn1
| 43
|
CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1
| 44
|
CCC(NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12)c1ccccc1
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
CCC(NC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12)c1ccccc1
| 45
|
O=S(=O)(c1ccc2cc[nH]c2c1)N1CCCC1CCN1CCC(Oc2cccc(Cl)c2)CC1
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
O=S(=O)(c1ccc2cc[nH]c2c1)N1CCCC1CCN1CCC(Oc2cccc(Cl)c2)CC1
| 46
|
CN1Cc2c(-c3noc(C(C)(C)O)n3)ncn2-c2cccc(Cl)c2C1=O
| 0
|
Does the following compound cross the Blood Brain Barrier (BBB)?
CN1Cc2c(-c3noc(C(C)(C)O)n3)ncn2-c2cccc(Cl)c2C1=O
| 47
|
NC(=O)N1c2ccccc2C2OC2c2ccccc21
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
NC(=O)N1c2ccccc2C2OC2c2ccccc21
| 48
|
CCCN(CCC)CCc1ccc(O)c2c1CC(=O)N2
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
CCCN(CCC)CCc1ccc(O)c2c1CC(=O)N2
| 49
|
CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1
| 50
|
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(N)=O)CS[C@H]12)c1ccco1
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(N)=O)CS[C@H]12)c1ccco1
| 51
|
c1cc(CN2CCCCC2)cc(OCCCNc2nc3ccccc3o2)c1
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
c1cc(CN2CCCCC2)cc(OCCCNc2nc3ccccc3o2)c1
| 52
|
NCCc1cn2ccccc2n1
| 0
|
Does the following compound cross the Blood Brain Barrier (BBB)?
NCCc1cn2ccccc2n1
| 53
|
Cc1ncc([N+](=O)[O-])n1CC(O)CCl
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
Cc1ncc([N+](=O)[O-])n1CC(O)CCl
| 54
|
CCCN(CCC)CCc1cccc2c1CC(=O)N2
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
CCCN(CCC)CCc1cccc2c1CC(=O)N2
| 55
|
Clc1ccc2c(c1)C1CNCC1c1ccccc1O2
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
Clc1ccc2c(c1)C1CNCC1c1ccccc1O2
| 56
|
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c(=O)[nH]n3C)CS[C@H]12)c1csc(N)n1
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c(=O)[nH]n3C)CS[C@H]12)c1csc(N)n1
| 57
|
c1ccc(NCCCOc2cccc(CN3CCCCC3)c2)nc1
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
c1ccc(NCCCOc2cccc(CN3CCCCC3)c2)nc1
| 58
|
Cc1cccc2c1Oc1ccccc1C1(O)CCNCC21
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
Cc1cccc2c1Oc1ccccc1C1(O)CCNCC21
| 59
|
O=[N+]([O-])C1=CC=NC1NCCSCc1ncccc1Br
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
O=[N+]([O-])C1=CC=NC1NCCSCc1ncccc1Br
| 60
|
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2
| 61
|
OCCCOc1cccc(CN2CCCCC2)c1
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
OCCCOc1cccc(CN2CCCCC2)c1
| 62
|
Cc1ncsc1CCCl
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
Cc1ncsc1CCCl
| 63
|
CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(C(C)=O)c1
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
CCN(CC)C(=O)Nc1ccc(OCC(O)CNC(C)(C)C)c(C(C)=O)c1
| 64
|
FC(F)(F)CCl
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
FC(F)(F)CCl
| 65
|
CO[C@@]1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)O)=C(COC(N)=O)CS[C@@H]21
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
CO[C@@]1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)O)=C(COC(N)=O)CS[C@@H]21
| 66
|
C=CCC(N)c1ccccc1-c1noc2ccccc12
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
C=CCC(N)c1ccccc1-c1noc2ccccc12
| 67
|
Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2O
| 68
|
CC(=O)Nc1ccc(O)cc1
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
CC(=O)Nc1ccc(O)cc1
| 69
|
Cn1c(=O)c2[nH]cnc2n(C)c1=O.Cn1c(=O)c2[nH]cnc2n(C)c1=O.NCCN
| 0
|
Does the following compound cross the Blood Brain Barrier (BBB)?
Cn1c(=O)c2[nH]cnc2n(C)c1=O.Cn1c(=O)c2[nH]cnc2n(C)c1=O.NCCN
| 70
|
CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1
| 0
|
Does the following compound cross the Blood Brain Barrier (BBB)?
CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1
| 71
|
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O.O.O.O
| 0
|
Does the following compound cross the Blood Brain Barrier (BBB)?
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O.O.O.O
| 72
|
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O
| 0
|
Does the following compound cross the Blood Brain Barrier (BBB)?
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O
| 73
|
C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
| 0
|
Does the following compound cross the Blood Brain Barrier (BBB)?
C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
| 74
|
FC(F)(F)c1ccc2c(c1)N(CCCN1CCN(CCC3OCCCO3)CC1)c1ccccc1S2.O=C(O)CCC(=O)O
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
FC(F)(F)c1ccc2c(c1)N(CCCN1CCN(CCC3OCCCO3)CC1)c1ccccc1S2.O=C(O)CCC(=O)O
| 75
|
O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=NC1O
| 76
|
O=c1[nH]c2ccccc2n1C1CCN(CCOc2ccccc2)CC1
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
O=c1[nH]c2ccccc2n1C1CCN(CCOc2ccccc2)CC1
| 77
|
CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5
| 78
|
NC1=NC(=O)C(c2ccccc2)O1
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
NC1=NC(=O)C(c2ccccc2)O1
| 79
|
CCc1cc(C(N)=S)ccn1
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
CCc1cc(C(N)=S)ccn1
| 80
|
NC(N)=Nc1nc(CSCCC(N)=NS(N)(=O)=O)cs1
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
NC(N)=Nc1nc(CSCCC(N)=NS(N)(=O)=O)cs1
| 81
|
OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F
| 82
|
O=C([O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+]
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
O=C([O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+]
| 83
|
NCC1(CC(=O)O)CCCCC1
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
NCC1(CC(=O)O)CCCCC1
| 84
|
CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21
| 0
|
Does the following compound cross the Blood Brain Barrier (BBB)?
CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21
| 85
|
Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C
| 0
|
Does the following compound cross the Blood Brain Barrier (BBB)?
Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C
| 86
|
CN(C)[C@@H]1C(=O)/C(=C(\N)O)C(=O)[C@@]2(O)C(=O)C3=C(O)c4c(O)ccc(Cl)c4[C@@](C)(O)[C@H]3C[C@@H]12.[Cl-].[H+]
| 0
|
Does the following compound cross the Blood Brain Barrier (BBB)?
CN(C)[C@@H]1C(=O)/C(=C(\N)O)C(=O)[C@@]2(O)C(=O)C3=C(O)c4c(O)ccc(Cl)c4[C@@](C)(O)[C@H]3C[C@@H]12.[Cl-].[H+]
| 87
|
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
| 0
|
Does the following compound cross the Blood Brain Barrier (BBB)?
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
| 88
|
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)Cn4cnnn4)[C@H]3SC2)s1.[Na+]
| 0
|
Does the following compound cross the Blood Brain Barrier (BBB)?
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)Cn4cnnn4)[C@H]3SC2)s1.[Na+]
| 89
|
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CSc3ccncc3)[C@H]2SC1
| 0
|
Does the following compound cross the Blood Brain Barrier (BBB)?
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CSc3ccncc3)[C@H]2SC1
| 90
|
O=C(O)CCCc1ccc(N(CCCl)CCCl)cc1
| 0
|
Does the following compound cross the Blood Brain Barrier (BBB)?
O=C(O)CCCc1ccc(N(CCCl)CCCl)cc1
| 91
|
CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
| 92
|
c1ccc(C2(N3CCCCC3)CCCCC2)cc1
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
c1ccc(C2(N3CCCCC3)CCCCC2)cc1
| 93
|
NNCCc1ccccc1.O=S(=O)(O)O
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
NNCCc1ccccc1.O=S(=O)(O)O
| 94
|
NC(=O)OCCCc1ccccc1
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
NC(=O)OCCCc1ccccc1
| 95
|
CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
CNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)[C@@H]1N2C
| 96
|
NCC(O)c1ccc(O)c(O)c1
| 0
|
Does the following compound cross the Blood Brain Barrier (BBB)?
NCC(O)c1ccc(O)c(O)c1
| 97
|
Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12
| 0
|
Does the following compound cross the Blood Brain Barrier (BBB)?
Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12
| 98
|
OC[C@H]1O[C@@H](n2cnc3c2NC=NC[C@H]3O)C[C@@H]1O
| 1
|
Does the following compound cross the Blood Brain Barrier (BBB)?
OC[C@H]1O[C@@H](n2cnc3c2NC=NC[C@H]3O)C[C@@H]1O
| 99
|
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