drd2_bin_balanced.csv

SMILES,Activity_Flag
C1(C=2C(=CC=CC2)C(C1)C3=CC=C(C=C3)F)N4CCNCC4,1
N1(CC2CC2)CCC(COC3=NC=CC=C3)CC1,1
ClC=1C=C(NC(=O)C2=CC=3CCCN(S(=O)(=O)C)C3C=C2)C(OC)=CC1,0
S(OC1=CC=C(CNC(=O)CCCCCN2CCN(CC2)C=3C(OC)=CC=CC3)C=C1)(=O)(=O)C,1
O1C2=C(OCC1)C=CC(=C2)C=3ON=C(C3)C(OC=4C(=CC=CC4)C)=O,0
O(CC(=O)N1CCN(CC1)CC2=CC=CC=C2)C3=CC=C(C4=NN(C(=O)C5=C4C=CC=C5)C)C=C3,0
N1=C(C=CN(C1=O)CCCCN2CCN(C=3C=C(N=C(N3)C(C)(C)C)C(F)(F)F)CC2)C4CCCCC4,1
C12=C3C(NC=C3)=CC=C1CC[C@H](C2)N(CCC)CCC,1
C1=C(C2=NC(=CN2C=C1C)CN3CCN(CC3)C4=CC=CC=C4OC)C#N,1
C=1C(=CC2=C(C1)C(CC(C2)CN3CCC(CC3)C(C=4C=CC(=CC4)F)=O)=O)C(C)=O,1
C12=C(N=C3N1C=C(C(NCCCN4CCN(CC4)C5=C(OC)C=CC=C5)=N3)Br)N(C)C(N(C2=O)C)=O,1
C=1(C=CC(=CC1)F)C(=O)NCCN2CCN(C=3N=CC=CC3C#N)CC2,1
ClC=1C(NC(=O)CCCCC(=O)NC=2C(Cl)=CC=CC2)=CC=CC1,0
O=C1NC(=O)NC1(C2=CC=C(OC)C=C2)C3=CC=C(OC)C=C3,0
O=C(NC1=C(C=2C=CC=CC2)C=CC=C1)C3=C(N(=O)=O)C=CC=C3,0
O(CC1=CC=CC=C1)C=2C=CC(NC(=O)NC3=CC=CN=C3)=CC2,0
S1C(NC(=O)C=2C(=NOC2C)C=3C=CC=CC3)=NN=C1C4=CC=NC=C4,0
O=C(N1CCCC1)C2=CC(NC(=O)C=3C=CC=CC3)=CC=C2,0
N12C(SC3=CC=CC=C3C(=C1)N4CCN(CC4)C)=CC=C2C=O,1
C1=2OC(CNCCCOC3=CC4=NC=CC=C4C=C3)CCC1=CC=C(C2)O,1
C1(=NSC=2C1=CC=CC2)N3CCN(CC3)CCON4C(CC5(CC4=O)CCCC5)=O,1
S(C(C(=O)NC1CC1)C)C=2N(CCOC)C(=NN2)C3=CC(=CC=C3)C,0
S(C=1OC(=C(N1)C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)C(C(=N)C)C#N,0
S(C=1N=C(N=C2N(C(=O)N(C(=O)C21)C)C)C3=C(F)C=CC=C3)CC(=O)NC4=C(F)C=CC=C4,0
C12[C@H](N(CC=C)CC1)CCC=3C2=C(OC)C=CC3,1
O1C=2C(C(C=3C1=CC=CC3)CC(=O)NC4=C(C=CC=C4)C#N)=CC=CC2,0
C=1C(=CC=C2C1C[C@@H](CC2)N(CCC)CCN3CCN(CC3)C4=CC=CC=C4)OS(C5=CC=C(C=C5)OC)(=O)=O,1
N1(C2CC(CC1CC2)OC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)CC5=CC(Cl)=C(C=C5)Cl,1
O=C1N(CCC(=O)NC=2C=CC(=CC2)C)C(=O)C=3C1=CC=CC3,0
S(=O)(=O)(NC1=CC=C(C(=O)N2CCN(CC2)C3=CC=C(OC)C=C3)C=C1)C=4C=C(F)C=CC4,0
C1(=CC=CC(=C1)O)[C@H]2CN(CCC2)CCC,1
O(CCCN1CCN(CC1)C=2C=3C(C=CC2)=CC=CC3)C=4C(=CC=5C(C4)=C(O)NC5)C,1
O=C(NC1CCCC1)CN2CCC(CC2)C(=O)C3=CC=4OCCOC4C=C3,0
O=C(C=1C=CC(C2=CC=CC=C2)=CC1)C/C=N/OC,0
C1(=NC2=C(C=CC(=C2)F)CC=3C1=CC=CC3)N4CCN(CC4)C,1
FC=1C=2C(CCCN3CCN(CC3)C4=C5OCCOC5=CC=C4)=CNC2C=CC1,1
ClC1=CC=C(C=2NN=C(C2)C(=O)NCC3=CC=C(F)C=C3)C=C1,0
C1=2OC(CNCC3=CC=C(C=C3)Cl)CCC1=CC=C(C2)O,1
C1(=C(OC)C(OCCF)=CC=C1)C(C2CCN(CC2)CCC3=CC=C(C=C3)F)=O,1
N12C(C(N3CCN(CC3)CC=4C(=CC=C(C4)C)OC)CCC5=C1C(=CC=C5)CC2(C)C)=O,1
O=C(NCC1N(CCC1)CC)C(=O)NC,0
N1(C=2C=C(N(=O)=O)C=CC2CC1)C(CN3CCN(CC3)CC=4C=CC(=CC4)Cl)=O,1
OC=1C=2C3=C4[C@H](N(CCC4=CC(=C3)C5=CC=C(O)C=C5)C)CC2C=CC1O,1
C=1C(=C(C=CC1)N2CCN(C3CCC(CC3)NC(NC=4C=CC=C(C4)Cl)=O)CC2)OC(C)C,1
C1=2C(C(C=3C=CC(=CC3)F)CC1N4CCN(CC4)C)=CC=C(C2)Cl,1
O(C(=O)N1CCC(CC1)C(=O)N[C@@H](CCC(OC(C)(C)C)=O)C=2OC(=NN2)[C@@H](N(C)C)COC(C)(C)C)C(C)(C)C,0
C=12C(=CC(=C(C1)O)O)CCC(N(C)C)C2,1
C=12C=3O[C@@H](CNCC=4C=CC=CC4)CCC3C=CC1NC(=C2)O,1
C1N(CCCCNC(C=2C=CC(=CC2)OCCOCCOCCF)=O)CCN(C=3C(=CC=CC3)OCCF)C1,1
C=1C=C([C@@H](O)CNCCC2=CC=CC(=C2)CNCC3=CC=CC=C3F)C=4SC(=NC4C1O)O,1
ClC1=C2C=3[C@@H](N(CC2)C)CC4=C(C3C(OC)=C1O)C=C(OC)C(O)=C4,1
O1C(C=2OC(NCC3=CC=CN=C3)=C(N2)C#N)=CC=C1COC4=CC=CC=C4,0
OC=1C=C2CCN(CCC=3C(CC2=CC1O)=CC=CC3)C,1
[C@@H]12C3=C(C=CC=C3CCN1CCC)C=4C(C2)=C(C=CC4OC)OC,1
N1(C(=NN=C1C2=C(N=CO2)C)SCCCN[C@H]3CC[C@]4(C3C4)C5=CC=C(C=C5)C(F)(F)F)C,1
FC(F)(F)C=1C=C(CC(OCC(=O)NC=2C=C3OCCOC3=CC2)=O)C=CC1,0
S1C=2N=C(N=C(N3CCC(CC3)C(=O)N)C2C(=C1C)C)CN4CCOCC4,0
OC=1C=C2C[C@H](N(CCN3CCN(CC3)C4=CC=CC=C4)CCC)CCC2=CC1,1
N1(C2=C(OC)C=CC=C2)CCN(CC1)CCCCNC(C=3C=CC(=CC3)I)=O,1
ClC(Cl)=C(N1C(CCCC1C)C)C(N(=O)=O)=C2SCCS2,0
O(C(=O)C=1C(NC2=CC=CC=C2)=CC=CC1)CC(=O)NC3=CC=C(C=C3)C(=O)N,0
S(=O)(=O)(NC)C=1C=C(C=CC1)C(OCC(=O)NCCCC2=CC=CC=C2)=O,0
[C@H]12N(CC[C@H]1CC=3C(O)=CC=CC3C2)CC=C,1
O(C=1C(N2CCN(CC2)CC3=CC(OC)=C(OCC=4N=NN(CCCC)C4)C=C3)=CC=CC1)C,1
C1(=NSC=2C1=CC=CC2)N3CCN(CC3)CCCN4C(=C5C=CC=CC5=C4)O,1
C1(N2CCN(CC2)C)C=3C=C(C=CC3SC4=C(C=CC=C4)C1)C=5C=NN(C5)C,1
C12=C3NCCC3=CC=C1CCC(C2)N(CCC)CCC,1
O1C(CCC1)C(=O)NC=2C=CC(C(=O)NC(CC)C)=CC2,0
O(CCCNC(=O)C=1C2=C(C(=O)N(C1)C3=CC(OC)=CC=C3)C=CC=C2)C(C)C,0
N12C(=NC3=C1C(=CC=C3)CC(C2)N(CC4=CC=CC=C4)CCC)O,1
S(C=1N(C=2C(N1)=CC=NC2)CC(=O)NC=3C=C(C(=CC3)C)C)CC4=C(C=CC(=C4)C)C,0
ClC=1C=C(CN(C2C=S(O)(O)=CC2)C(=O)/C=C/C3=CC=CC=C3)C=CC1,0
O(/N=C(\CCN1CCN(CC1)C2=NC=CC=C2)/C3=CC(=C(C=C3)C)C)C,1
O=C(NC1=CC(=CC=C1)C)CC2CCC2,0
S(C(=S)N1CCCCC1)CC(=O)NC2=NC=3CC(CC(=O)C3C=N2)(C)C,0
FC1=CC=C(CN2C(C=CCN(CC2=O)CC=3OC=CC3)C4=CC=C(OC)C=C4)C=C1,0
ClC1=CC=C(C(=O)C2=CN(C=3N=C(C=CC3C2=O)C)CC(=O)NC4=CC=C(C=C4)C(OCC)=O)C=C1,0
S(=O)(=O)(N(CCN(C)C)CC1=CC=CC=C1)C2=CC=3N(C(=O)C(=O)N(C3C=C2)C)C,0
O(C=1C(N2CCN(CC2)CCCNC(=O)C=3C=CC(=CC3)COCCOCC)=CC=CC1)C,1
CN1CCN(CCN2CCN(CC2)C3CC(C4=CC=C(C=C4)F)C=5C=CC(=CC53)F)C1=O,1
O1CCN(CC2CCN(CC2)C(=O)NC=3C=C(C=C(C3)C)C)CC1,0
S(C=1N(CC2OCCC2)C(=NN1)C3C=CC(=O)C=C3)CC(=O)C4=CC=C(NC(=O)CC)C=C4,0
ClC=1C(C2N3NC(=NC3=NC(=C2C(=O)NC=4C=CC=NC4)C)C5=C(OC)C=CC=C5)=CC=CC1,0
OC(=NN=CC=1C=CC(O)=CC1)C2=CC=3N=C(N(C3C=C2)CC)C,0
S1C(C(=O)N2CCN(CC2)C=3N=CC=CN3)=C(/N=C/N(C)C)C4=C1N=C(C=C4C)C,0
ClC=1C(C(=O)NC(C2CC2)C)=CC(=C(Cl)C1)C,0
N1(C2=C(OC)C=CC=C2)CCN(CCCCNC(C3(C4=CC=C(C=C4)Cl)CCCC3)=O)CC1,1
ClC1=CC=2C(=C(S(=O)(=O)NCCCCN3CCC(CC3)C4=NOC=5C4=CC=C(F)C5)SC2C=C1)C,1
[C@@H]12C3=C(C=CC=C3CCN1C)C4=C(C2)C=CC(C(=O)C)=C4OC,1
ClC1=C(N2CCN(CC2)CCCCOC=3C=C4N=CC=CC4=CC3)C=CC=C1Cl,1
[N+]1(=C2C(C3CCCC(C3CC2)O)=CC=C1)CC,1
FC1=CC2=C3[C@H](N(CC2)CCC)CC4=C(C3=C1)C=5OCOC5C=C4,1
C12(C=3C(=CC=CC3)CCC1)CCN(CC2)CC4=CC=CC=C4,1
[N+]1=2C(C3=C(C=C4C(=C3)OCO4)CC1)=CC5=CC=C(C(=C5C2)OC)OC,1
OC(=O)C=1N(C(C2=CC=CC=C2)C)C=NC1,0
N1C2=C(C=C(C=C2)CN3CCN(CC3)C=4C=C(C)C(=CC4)C)OCC1=O,1
O(C(=O)CCC1=CC(OC)=C(OC)C(OC)=C1)CN2N=NC3=C(C2=O)C=CC=C3,0
FC1=CC=C([C@H](O)CCCN2CCN(CC2)C3=NC=CC=C3)C=C1,1
C1(=NC2=C(C=CC(=C2)Cl)N(NC(CCCCC(NN3C=4C(C(=NC5=C3C=CC(=C5)Cl)N6CCN(CC6)C)=CC=CC4)=O)=O)C7=C1C=CC=C7)N8CCN(CC8)C,1
S(CC(=O)N1CCCCC1)C=2N(CCC)C(=NN2)C=3OC=CC3,0
OC=1C2=C3C(N(CCC3=CC1O)C)CC=4C2=CC=CC4,1
O(C1=C(C(C)C)C=CC(=C1)C)CC(=O)NN2C(=O)C3=C(NC2=O)C=CC=C3,0
S(CCC(N1C(=O)C=2C(C1=O)=CC=C(C2)C(O)=O)C(=O)O)C,0
ClC=1C(=CC(C=2OC(=CC2)/C=C(/C(=O)NC3=CC=C(OC)C=C3)\C#N)=CC1)C(=O)O,0
O(C(=O)N1CCN(CC1)C=2C=CC(NC(=O)C=3OC=CC3)=CC2)C(C)(C)C,0
N1(C[C@H](C=2C=C(C#N)C=CC2)CCC1)CC3CC3,1
C=1C=C(C=C(OC)C1)[C@@H]2CC[C@H](N3CCN(CC3)C4=C5C(=CC=C4)C=CC=C5)CC2,1
C1(=CNC=2C1=CC=CC2)[C@H]3CC[C@@H](CC3)CCN4CCN(CC4)C=5C=CC=CC5,1
ClC1=C2C(=C(C=3C1=CC=CC3)/C=N/N4CCN(CC4)C)C=CC=C2,0
O=C(NC1=C(C=C(C=C1)C)C)C2C(N3C(N=C2C)=NC=4C3=CC=CC4)C5=CC(OC)=C(OC)C(OC)=C5,0
ClC1=CC=C(CCNC(=O)CCC=2N(CC3=CC=CC=C3)C4=NC=CC=C4N2)C=C1,0
O(C=1C(NC(=O)NC=2C=C(OC)C=CC2)=CC(C=3N=C4N(C3)C=CC=N4)=CC1)C,0
N1(C2(CCN(CC=3C4=CC=CC=C4OC3)CC2)C(N(C1)CCF)=O)C5=CC=CC=C5,1
S(C=1N(C(=CN1)CO)C)CC(=O)C=2C=CC(F)=CC2,0
ClC1=C(C(C2=C(Cl)C=C(N(CCO)CCO)C=C2)C=3C(Cl)=CC=CC3)C=CC(N(CCO)CCO)=C1,0
C1(N(C=2C=CC(=CC2S1)CCCCN3CCN(CC3)CC4=C(C=C(C=C4)Cl)Cl)C)=O,1
C1C(N2C=3C(N=C2O)=CC=CC3)CCN(CCCN4C(=O)CCC5=C4C=NC=C5)C1,1
FC1=CC=C(N2CCN(CC2)C(=O)CN3N=CC=4C(N=C5C4C=CC=C5)=C3O)C=C1,0
C12=C(C3=CC=CC=C3N1)CN(CC2C4=CC=CC=C4)CCCCC=5C=CN=CC5,1
C=12C(=C(C=C(N1)C)C)C(=C(S2)C(=O)NCCCN3CCC(CC3)(O)C=4C=CC(=CC4)Cl)N,1
BrC1=CC(N(=O)=O)=C(NC(=O)CN2CCC(CC2)C)C=C1,0
O=C1NCN(C12CCN(CC2)CC3OC=4C(OC3)=CC=C5NC(=CC45)C(OCCCC)=O)C6=CC=CC=C6,1
S(=O)(=O)(NC1CCC(CC1)CCN2CCC(OC=3C=C(C=CC3)C(F)(F)F)CC2)C4=CC=CN=C4,1
S(C1=NC=2CCCC2C=C1C#N)CC(=O)NC=3C=CC(S(=O)(=O)NC=4ON=C(C4C)C)=CC3,0
ClC(Cl)C(NC(=O)N1CCN(CC1)C)C2=CC(F)=C(C=C2)C,0
N1(C=C(N=N1)CCCCN2CCN(CC2)C=3C=CC=CC3OC)CCCOC4=CC=CC5=C4C6=CC=CC=7CCN(C(C76)C5)CCC,1
S(=O)(=O)(NCC(=O)N(C(C(C)C)C(=O)NCC1OCCC1)CC2=CC=CC=C2)C3=CC=CC=C3,0
C1C2=C(CC[C@@H]1N(CCC)CCN3CCN(CC3)C4=CC=C(C=C4)C=5C=C(C=CC5)O)N=C(S2)N,1
S=C(N(CCN1CCCCC1)CC=2OC=CC2)NC3=C(C=CC=C3)C,0
C1CN(CCCCCCN2CCN(CC2)C3=CC=CC(=C3)Cl)CCN1C4=CC=CC(=C4)Cl,1
S=C(NN1CCOCC1)NC=2C=C(F)C=C(F)C2,0
ClC1=CC=2N(C(=O)N3CCC(CC3)C(=O)N4CCN(CC4)C5=CC=CC=C5)CC(OC2C=C1)C,0
O=C(N(CC1=CC=CC=C1)C)C=2NC=NC2C(=O)N(CC3=CC=CC=C3)C,0
O=C(C1CCCN(C1)CC2=NC=CC=C2)C3=C4C5=C(CCC5=CC=C4)C=C3,0
S1C(=NC(C2=CC(=C(C=C2)C)C)=C1)C3=CC4=C(OC3=O)C=CC(OC)=C4,0
[C@@H]12CC[C@@H](N1CCCOC3=CC=C(C=C3)F)CC(O)(C4=CC=C(C=C4)Cl)C2,1
C12=C(C(N3CCN(CC3)CCN4C(NCC4)=S)CC1C5=CC=C(C=C5)F)C=CC(=C2)F,1
C1=CC=C2CN(CC2=C1)CCN3CCN(C3=O)C4=CC(=C(C=C4)Cl)Cl,1
C1=2O[C@H](CNCC3=CC=CC=C3)CCC1=CC=C(C2)O,1
C1N(CCN(C1)CCC)C2=CC(=CC=C2)C#N,1
ClC1=C(OCC(=O)NC2=CC=C(C3=NN=C(N4CCOCC4)C=C3)C=C2)C=CC(Cl)=C1,0
O1C(CCC1)C(=O)NC=2C(=CC=C(C2)C(OC)=O)C(OC)=O,0
ClC1=CC=C(N2N=C3C(=C2NC(=O)C(=O)NCC(O)C)CSC3)C=C1,0
O(C=1C2=C3C(N(CCC3=CC1OC)C)CC=4C2=CC=CC4)C,1
C1=2C(=NC=3C=C(Cl)C=CC3NC1=NN(C2)CCCCCCCCCC)N4CCN(CC4)C,1
FC(F)(F)C=1C=C(NC(=O)CN2C(O)(C(OC2=O)(C)C)C)C=CC1,0
ClC=1C=C(NC2=C(N(=O)=O)C=C(S(=O)(=O)N3CCCCC3)C=C2)C=CC1OC,0
BrC=1N(CCCO)C2=C(N(C(=O)NC2=O)C)N1,0
C=12OCCCC1C=CC=C2OCCNCCCCC3=CC=C(C=C3)OC,1
O1C2=C(OCC1)C=C3OC(=O)C=C(C3=C2)C,0
S1C=2N=CN(C(=O)C2C(C3=CC=C(OC)C=C3)=C1)CC(OCCC)=O,0
S1C(CCNC2CCC3=NNC=C3C2)=CC=C1,1
C12=C(NC(C1)=O)C(Cl)=CC=C2OCCNC3=CC=4C=CC=CC4C=C3,1
[C@@H]12N([C@@H](CC1)C[C@](O)(C3=CC=C(C=C3)F)C2)CC4=COC=5C4=CC=CC5,1
BrC=1C(=CC(NC(=O)C2CCCN(C2)C=3SC4=C(N3)C=CC(OCC)=C4)=CC1)C,0
O(C=1C(N2CCN(CC2)CCCCNC(=O)C3=C4N(N=C3)C=CC(OCCOCC)=C4)=CC=CC1)C,1
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[C@H]12N(CCC3=C1C(C=4C(C2)=CC=C(C4O)O)=CC=C3)C(C)C,1
BrC1=C(OC)C=C(COC(=O)C2=NC=C(N=C2)C)C(OC)=C1,0
ClC1=C(ON=C1C)C(=O)NCC2=CC=C(OC)C=C2,0
ClC1=C(N2CCN(CC2)C/C=C/CNC(=O)C3=C(OC)C=CC=C3)C=CC=C1Cl,1
C([C@H]1COC=2C3=C(C=CC2O1)NC(=O)C3)NCCC4CC=5NC=6C(C5CC4)=CC(=CC6)F,1
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C=12C3C(N(CCC)CCC3)CCC1C(O)=CC=C2,1
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N1(C=2N=CC=CC2)CCN(CC1)CC/C=C\3/C4=C(C(OC)=CC=C4)CCC3,1
N1(C(CN2CCN(CC2)CC=3C=CC(=CC3)Cl)=O)C4=C(C=CC=C4)C(C1)C,1
O1[C@H]2[C@H](N(CC1)CCC)CCC=3C2=CC(O)=CC3,1
C12=C(C(Cl)=C(C(=C1)O)O)CCNCC2C3=CC=C(C=C3)O,1
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