smiles_a
string | smiles_b
string | smiles
string | label
int64 |
|---|---|---|---|
C(CC(=O)O)CC(=O)O
|
COC(=O)Nc1[nH]c2ccc(cc2n1)C(=O)c3ccccc3
|
C(CC(=O)O)CC(=O)O.COC(=O)Nc1[nH]c2ccc(cc2n1)C(=O)c3ccccc3
| 1
|
C(CC(=O)O)CC(=O)O
|
CC(=O)Nc1ccncc1
|
C(CC(=O)O)CC(=O)O.CC(=O)Nc1ccncc1
| 1
|
C(CC(=O)O)CC(=O)O
|
c1ccnc(c1)NC(=O)c2ccncc2
|
C(CC(=O)O)CC(=O)O.c1ccnc(c1)NC(=O)c2ccncc2
| 1
|
C(CC(=O)O)CC(=O)O
|
Cc1ccnc2c1NC(=O)c3cccnc3N2C4CC4
|
C(CC(=O)O)CC(=O)O.Cc1ccnc2c1NC(=O)c3cccnc3N2C4CC4
| 1
|
C(CC(=O)O)CC(=O)O
|
c1cc(cnc1)C(=O)N
|
C(CC(=O)O)CC(=O)O.c1cc(cnc1)C(=O)N
| 1
|
C(CC(=O)O)CC(=O)O
|
n1c3c(nc2c1cccc2)cccc3
|
C(CC(=O)O)CC(=O)O.n1c3c(nc2c1cccc2)cccc3
| 1
|
C(CC(=O)O)CC(=O)O
|
C(CCC(=O)O)CCC(=O)O
|
C(CC(=O)O)CC(=O)O.C(CCC(=O)O)CCC(=O)O
| 0
|
C(CC(=O)O)CC(=O)O
|
c1cnccn1
|
C(CC(=O)O)CC(=O)O.c1cnccn1
| 1
|
C(CC(=O)O)CC(=O)O
|
COc1cc(cc(c1)OC)/C=C/c2ccc(cc2)O
|
C(CC(=O)O)CC(=O)O.COc1cc(cc(c1)OC)/C=C/c2ccc(cc2)O
| 1
|
C(CC(=O)O)CC(=O)O
|
c1cnc(cn1)N
|
C(CC(=O)O)CC(=O)O.c1cnc(cn1)N
| 1
|
C(CC(=O)O)CC(=O)O
|
c1cc(ccc1N)S(=O)(=O)Nc2nccs2
|
C(CC(=O)O)CC(=O)O.c1cc(ccc1N)S(=O)(=O)Nc2nccs2
| 1
|
C(CC(=O)O)CC(=O)O
|
C(=N)(N)S
|
C(CC(=O)O)CC(=O)O.C(=N)(N)S
| 1
|
c1cc(ccc1O)O
|
c1ccc(cc1)N
|
c1cc(ccc1O)O.c1ccc(cc1)N
| 1
|
c1cc(ccc1O)O
|
c1ccc2c(c1)C=Cc3ccccc3N2C(=N)O
|
c1cc(ccc1O)O.c1ccc2c(c1)C=Cc3ccccc3N2C(=N)O
| 1
|
c1cc(ccc1O)O
|
CN1C(=C(c2c(cc(s2)Cl)S1(=O)=O)O)C(=O)Nc3ccccn3
|
c1cc(ccc1O)O.CN1C(=C(c2c(cc(s2)Cl)S1(=O)=O)O)C(=O)Nc3ccccn3
| 1
|
c1cc(ccc1O)O
|
c1ccc2c(c1)nccn2
|
c1cc(ccc1O)O.c1ccc2c(c1)nccn2
| 1
|
c1cc(ccc1O)O
|
c1ccc(cc1)P(=O)(c2ccccc2)c3ccccc3
|
c1cc(ccc1O)O.c1ccc(cc1)P(=O)(c2ccccc2)c3ccccc3
| 1
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
C(CS(=O)(=O)O)S(=O)(=O)O
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.C(CS(=O)(=O)O)S(=O)(=O)O
| 0
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
c1ccc2c(c1)ccc(c2O)C(=O)O
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.c1ccc2c(c1)ccc(c2O)C(=O)O
| 0
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
c1cnccc1c2ccncc2
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.c1cnccc1c2ccncc2
| 1
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
C1=CC(=CC=C1C(=O)N)N
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.C1=CC(=CC=C1C(=O)N)N
| 0
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
c1cc(ccc1C(=O)O)N
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.c1cc(ccc1C(=O)O)N
| 0
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
C1=CC(=CC=C1C(=O)N)O
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.C1=CC(=CC=C1C(=O)N)O
| 0
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
c1cc(ccc1C(=O)O)O
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.c1cc(ccc1C(=O)O)O
| 0
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
Cc1ccc(cc1)S(=O)(=O)O
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.Cc1ccc(cc1)S(=O)(=O)O
| 0
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
C(CCC(=O)O)CC(=O)O
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.C(CCC(=O)O)CC(=O)O
| 0
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
C1C(C(C(C(O1)O)O)O)O
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.C1C(C(C(C(O1)O)O)O)O
| 0
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
C(C(C1C(=C(C(=O)O1)O)O)O)O
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.C(C(C1C(=C(C(=O)O1)O)O)O)O
| 0
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
C(C(C(=O)O)N)C(=O)O
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.C(C(C(=O)O)N)C(=O)O
| 0
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
c1ccc(cc1)C(=O)N
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.c1ccc(cc1)C(=O)N
| 1
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
C1=CC=C(C=C1)C(=O)O
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.C1=CC=C(C=C1)C(=O)O
| 0
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
c1ccc(cc1)/C=C/C(=O)O
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.c1ccc(cc1)/C=C/C(=O)O
| 1
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
OC(=O)CC(O)(C(=O)O)CC(=O)O
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.OC(=O)CC(O)(C(=O)O)CC(=O)O
| 0
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
C1CCC(CC1)NS(=O)(=O)O
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.C1CCC(CC1)NS(=O)(=O)O
| 0
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
CCc1c(c(=O)cco1)O
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.CCc1c(c(=O)cco1)O
| 0
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
C1C(C(C(C(O1)(CO)O)O)O)O
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.C1C(C(C(C(O1)(CO)O)O)O)O
| 0
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
C(=C/C(=O)O)\C(=O)O
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.C(=C/C(=O)O)\C(=O)O
| 0
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
c1cc(c(cc1O)C(=O)O)O
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.c1cc(c(cc1O)C(=O)O)O
| 0
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
C(C1C(C(C(C(O1)O)O)O)O)O
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.C(C1C(C(C(C(O1)O)O)O)O)O
| 0
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
C(CC(=O)O)CC(=O)O
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.C(CC(=O)O)CC(=O)O
| 0
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
C(C(=O)O)N
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.C(C(=O)O)N
| 0
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
C(C(=O)N)O
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.C(C(=O)N)O
| 0
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
C(C(=O)O)O
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.C(C(=O)O)O
| 0
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
c1ccc(cc1)C(=O)NCC(=O)O
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.c1ccc(cc1)C(=O)NCC(=O)O
| 0
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
c1cnccc1C(=O)N
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.c1cnccc1C(=O)N
| 0
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
CC(C(=O)N)O
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.CC(C(=O)N)O
| 1
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
CC(C(=O)O)O
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.CC(C(=O)O)O
| 0
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
CC(C(=O)O)O
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.CC(C(=O)O)O
| 0
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O
| 0
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
CC(C)CC(C(=O)O)N
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.CC(C)CC(C(=O)O)N
| 0
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
CCN(CC)C/C(=N/c1c(cccc1C)C)/O
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.CCN(CC)C/C(=N/c1c(cccc1C)C)/O
| 1
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
C(CCN)CC(C(=O)O)N
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.C(CCN)CC(C(=O)O)N
| 0
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
O=C(O)\C=C/C(=O)O
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.O=C(O)\C=C/C(=O)O
| 0
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
C(C(C(=O)O)O)C(=O)O
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.C(C(C(=O)O)O)C(=O)O
| 0
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
O=C(O)CC(O)=O
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.O=C(O)CC(O)=O
| 0
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O
| 0
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
C1=CC=C(C=C1)C(C(=O)O)O
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.C1=CC=C(C=C1)C(C(=O)O)O
| 1
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
C(C(C(C(C(CO)O)O)O)O)O
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.C(C(C(C(C(CO)O)O)O)O)O
| 0
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
C(C1C(C(C(C(O1)O)O)O)O)O
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.C(C1C(C(C(C(O1)O)O)O)O)O
| 0
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
c1ccc2c(c1)cccc2S(=O)(=O)O
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.c1ccc2c(c1)cccc2S(=O)(=O)O
| 0
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
CC(C)(C)CCNC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)OC
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.CC(C)(C)CCNC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)OC
| 0
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
c1cc(cnc1)C(=O)N
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.c1cc(cnc1)C(=O)N
| 1
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
| 0
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
C(=O)(C(=O)O)O
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.C(=O)(C(=O)O)O
| 0
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
C(=O)(C(=O)O)O
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.C(=O)(C(=O)O)O
| 0
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
C1=CC=C2C(=C1)C(=O)NS2(=O)=O
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.C1=CC=C2C(=C1)C(=O)NS2(=O)=O
| 1
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
C/C=C/C=C/C(=O)O
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.C/C=C/C=C/C(=O)O
| 0
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
CCCCCCCCCCCCCCCCCC(=O)O
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O
| 0
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
C(CC(=O)O)C(=O)O
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.C(CC(=O)O)C(=O)O
| 0
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O
| 0
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
C(C(C(=O)O)O)(C(=O)O)O
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.C(C(C(=O)O)O)(C(=O)O)O
| 0
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
C(C(CO)(CO)N)O
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.C(C(CO)(CO)N)O
| 0
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N
| 0
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
C(=O)(N)N
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.C(=O)(N)N
| 0
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O
|
COc1cc(ccc1O)C(=O)O
|
CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.COc1cc(ccc1O)C(=O)O
| 0
|
c1cnccc1C(=O)N
|
C(CC(=O)O)C(=O)CCC(=O)O
|
c1cnccc1C(=O)N.C(CC(=O)O)C(=O)CCC(=O)O
| 1
|
c1cnccc1C(=O)N
|
C(CCC(=O)O)CC(=O)O
|
c1cnccc1C(=O)N.C(CCC(=O)O)CC(=O)O
| 1
|
c1cnccc1C(=O)N
|
C(CCCC(=O)O)CCCC(=O)O
|
c1cnccc1C(=O)N.C(CCCC(=O)O)CCCC(=O)O
| 1
|
c1cnccc1C(=O)N
|
COc1c(ccc(c1)/C=C/C(=O)CC(=O)/C=C/c2cc(c(cc2)O)OC)O
|
c1cnccc1C(=O)N.COc1c(ccc(c1)/C=C/C(=O)CC(=O)/C=C/c2cc(c(cc2)O)OC)O
| 1
|
c1cnccc1C(=O)N
|
Cc1c(ccnc1C[S@@](=O)c2[nH]c3ccccc3n2)OCC(F)(F)F
|
c1cnccc1C(=O)N.Cc1c(ccnc1C[S@@](=O)c2[nH]c3ccccc3n2)OCC(F)(F)F
| 1
|
c1cnccc1C(=O)N
|
c1cc(c(cc1c2ccc(cc2F)F)C(=O)O)O
|
c1cnccc1C(=O)N.c1cc(c(cc1c2ccc(cc2F)F)C(=O)O)O
| 1
|
c1cnccc1C(=O)N
|
c1cc(ccc1c2coc3cc(cc(c3c2=O)O)O)O
|
c1cnccc1C(=O)N.c1cc(ccc1c2coc3cc(cc(c3c2=O)O)O)O
| 1
|
c1cnccc1C(=O)N
|
C(CC(=O)O)CC(=O)O
|
c1cnccc1C(=O)N.C(CC(=O)O)CC(=O)O
| 1
|
c1cnccc1C(=O)N
|
CC(C)Cc1ccc(cc1)C(C)C(=O)O
|
c1cnccc1C(=O)N.CC(C)Cc1ccc(cc1)C(C)C(=O)O
| 1
|
c1cnccc1C(=O)N
|
O=C(O)CC(O)=O
|
c1cnccc1C(=O)N.O=C(O)CC(O)=O
| 1
|
c1cnccc1C(=O)N
|
C[C@@H](c1ccc2cc(ccc2c1)OC)C(=O)O
|
c1cnccc1C(=O)N.C[C@@H](c1ccc2cc(ccc2c1)OC)C(=O)O
| 1
|
c1cnccc1C(=O)N
|
C(=O)(C(=O)O)O
|
c1cnccc1C(=O)N.C(=O)(C(=O)O)O
| 1
|
c1cnccc1C(=O)N
|
C(CCC(=O)O)CCC(=O)O
|
c1cnccc1C(=O)N.C(CCC(=O)O)CCC(=O)O
| 1
|
c1cnccc1C(=O)N
|
C(CCCC(=O)O)CCC(=O)O
|
c1cnccc1C(=O)N.C(CCCC(=O)O)CCC(=O)O
| 1
|
CCC(C)n1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl
|
C(CCC(=O)O)CC(=O)O
|
CCC(C)n1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl.C(CCC(=O)O)CC(=O)O
| 0
|
CCC(C)n1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl
|
c1ccc(cc1)C(=O)N
|
CCC(C)n1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl.c1ccc(cc1)C(=O)N
| 1
|
CCC(C)n1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl
|
C(=C/C(=O)O)\C(=O)O
|
CCC(C)n1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl.C(=C/C(=O)O)\C(=O)O
| 1
|
CCC(C)n1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl
|
C(CC(=O)O)CC(=O)O
|
CCC(C)n1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl.C(CC(=O)O)CC(=O)O
| 0
|
CCC(C)n1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl
|
C(C(C(=O)O)O)(C(=O)O)O
|
CCC(C)n1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl.C(C(C(=O)O)O)(C(=O)O)O
| 1
|
CCC(C)n1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl
|
O=C(O)\C=C/C(=O)O
|
CCC(C)n1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl.O=C(O)\C=C/C(=O)O
| 0
|
CCC(C)n1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl
|
C(C(C(=O)O)O)C(=O)O
|
CCC(C)n1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl.C(C(C(=O)O)O)C(=O)O
| 1
|
CCC(C)n1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl
|
O=C(O)CC(O)=O
|
CCC(C)n1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl.O=C(O)CC(O)=O
| 0
|
CCC(C)n1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl
|
C(CC(=O)O)C(=O)O
|
CCC(C)n1c(=O)n(cn1)c2ccc(cc2)N3CCN(CC3)c4ccc(cc4)OC[C@H]5CO[C@](O5)(Cn6cncn6)c7ccc(cc7Cl)Cl.C(CC(=O)O)C(=O)O
| 1
|
CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O
|
C(CC(=O)O)CC(=O)O
|
CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O.C(CC(=O)O)CC(=O)O
| 1
|
CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O
|
O=C(O)\C=C/C(=O)O
|
CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O.O=C(O)\C=C/C(=O)O
| 1
|
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