molecule
stringlengths 1
914
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C1COCCN1CCOC2=CC=C(C=C2)C3=CN=C(C=C3)CC(=O)NCC4=CC=CC=C4 |
C1CC1CNC(C2=CC(=C(C=C2)F)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)C(F)(F)F)C5=CC=CC(=C5)C#N |
[H+].C1=CC(=C(C=C1CCC(=O)NCCCCCC(=O)NCCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)CN(CCN(CC2=C(C=CC(=C2)CCC(=O)O)[O-])CC(=O)[O-])CC(=O)[O-])[O-].[Ga+3] |
CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)N1)NC(=O)C(CCCN=C(N)N)NC(=O)C)C(=O)N)CC2=CNC3=CC=CC=C32)CCCN=C(N)N)CC4=CC=CC=C4)CC5=CN=CN5 |
C1CN(CCC1CC(=O)N2CCC(CC2)C3C4=C(CCC5=C3N=CC(=C5)Br)C=C(C=C4Br)Cl)C(=O)N |
CCC(CC)COC(=O)C(C)NP(=O)(OCC1C(C(C(O1)(C#N)C2=CC=C3N2N=CN=C3N)O)O)OC4=CC=CC=C4 |
CC1=CC(=NN1)NC2=NC(=NC(=C2)C)C3CCC(CC3)(C(=O)NC(C)C4=CN=C(C=C4)N5C=C(C=N5)F)OC |
CC(C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=CC=C5)NC(=O)CN6CCN(CCN(CCN(CC6)CC(=O)[O-])CC(=O)[O-])CC(=O)O)C(=O)NC(C(C)O)C(=O)O)O.[Cu+2] |
C=C(CCCCCCCCCCCCCCCC1=NNN=N1)NS(=O)(=O)CCCC(=O)NCCOCCOCC(=O)NC(CCC(=O)NC(CCC(=O)NCCOCCOCC(=O)NC(CCCCNC(=O)CSCC(C(=O)O)N)C(=O)N)C(=O)O)C(=O)O |
CCC(=O)OC1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)C(=O)CO |
CC1=CN(C(=O)NC1=O)C2CN(CC(O2)COP(=O)(N3CC(OC(C3)N4C=C(C(=O)NC4=O)C)COP(=O)(N5CC(OC(C5)N6C=NC7=C6N=C(NC7=O)N)COP(=O)(N8CC(OC(C8)N9C=C(C(=O)NC9=O)C)COP(=O)(N1CC(OC(C1)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(N1CC(OC(C1)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(N1CC(OC(C1)N1C=NC2=C(N=CN=C21)N)COP(=O)(N1CC(OC(C1)N1C=NC2=C(N=CN=C21)N)COP(=O)(N1CC(OC(C1)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(N1CC(OC(C1)N1C=C(C(=O)NC1=O)C)COP(=O)(N1CC(OC(C1)N1C=CC(=NC1=O)N)COP(=O)(N1CC(OC(C1)N1C=C(C(=O)NC1=O)C)COP(=O)(N1CC(OC(C1)N1C=C(C(=O)NC1=O)C)COP(=O)(N1CC(OC(C1)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(N1CC(OC(C1)N1C=NC2=C1N=C(NC2=O)N)COP(=O)(N1CC(OC(C1)N1C=CC(=NC1=O)N)COP(=O)(N1CC(OC(C1)N1C=CC(=NC1=O)N)COP(=O)(N1CC(OC(C1)N1C=C(C(=O)NC1=O)C)COP(=O)(N1CC(OC(C1)N1C=CC(=NC1=O)N)COP(=O)(N1CC(OC(C1)N1C=CC(=NC1=O)N)CO)N(C)C)N(C)C)N(C)C)N(C)C)N(C)C)N(C)C)N(C)C)N(C)C)N(C)C)N(C)C)N(C)C)N(C)C)N(C)C)N(C)C)N(C)C)N(C)C)N(C)C)N(C)C)N(C)C)P(=O)(N(C)C)OCC1CNCC(O1)N1C=CC(=NC1=O)N |
COC1=C(SC=C1)CNCCC2(CCOC3(C2)CCCC3)C4=CC=CC=N4 |
CC1=CC(=NN2C1=NC(=C2)C)C3=CC(=O)N4C=C(C=CC4=N3)N5CCNC6(C5)CC6 |
CC1CS(=O)(=O)CCN1N=CC2=CC=C(O2)[N+](=O)[O-] |
CC1=CN=C(C=C1)C2=NC=C(C=C2)C |
C1C(C(OC1N2C=NC(=NC2=O)N)CO)O.C1CN(C(=O)NC1O)C2C(C(C(O2)CO)O)(F)F |
CC1=NN(C=N1)C2=NC=C(C3=C2N(C=C3C(=O)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5)COP(=O)(O)O)OC |
CC1=CN=C2N1C3=C(C=C(C=C3)Br)C(=NC2CCC(=O)OC)C4=CC=CC=N4 |
CCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCC |
CC1=CC2=C(C3C4C5C6=C(C(=C7C(=C6C(N4C(C(C2)N3C)O)COC(=O)C8(CS5)C9=C(CCN8)C2=C(N9)C=CC(=C2)OC)OCO7)C)OC(=O)C)C(=C1OC)O |
C1=CC2=C(C=C1C3=CN=C(C=C3)F)NC4=C2C=NC=C4 |
CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OC(=O)CCC(=O)O)C |
CC12CCC3C(C1CC(C2O)F)CCC4=C3C=CC(=C4)O |
CCN1C2=CC(=NC=C2C=C(C1=O)C3=CC(=C(C=C3Br)F)NC(=O)NC4=CC=CC=C4)NC |
CC(C)(COC1=CN2C(=C(C=N2)C#N)C(=C1)C3=CN=C(C=C3)N4CC5CC(C4)N5CC6=CN=C(C=C6)OC)O |
CNC(=O)C1=C(C=C(C=C1)C2=NN3C(=CN=C3N=C2)CC4=CC5=C(C=C4)N=CC=C5)F |
CC1=C(C(=[N+](C(=C1Cl)C)[O-])Cl)C2=NOC(=N2)C3=CC(=C(C(=C3)O)O)[N+](=O)[O-] |
CCN1C2=C3C=C(NC3=NC=C2CN(C1=O)C4=C(C(=CC(=C4F)OC)OC)F)CN5CCOCC5 |
CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)NC4=NC(CO4)(C)C)OC5=CC6=NC=NN6C=C5 |
CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO |
CC(C)OC1=C(C=C(C=C1)C2=NC(=NO2)C3=C4CCC(C4=CC=C3)NCCO)C#N |
C1CC2=CN=CN2C1C3=C(C=C(C=C3)C#N)F |
C1CC(C2=C(C=CC=N2)C(C1C3=C(C(=CC=C3)F)F)N)OC(=O)N4CCC(CC4)N5C6=C(NC5=O)N=CC=C6 |
CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC |
CC(C)(CCCCCC(CCCCCC(C)(C)C(=O)O)O)C(=O)O |
C(C1C(C(C(C(O1)OC(C(CO)O)C(C(CO)O)O)O)O)O)O |
CCN(C1CCOCC1)C2=CC(=CC(=C2C)C(=O)NCC3=C(C=C(NC3=O)C)C)C4=CC=C(C=C4)CN5CCOCC5 |
CC(C1=CC=C(C=C1)F)(C2=CN=C(N=C2)N3CCN(CC3)C4=NC=NN5C4=CC(=C5)C6=CN(N=C6)C)N |
CC12CCC(=O)C=C1C3CC3C4C2CCC5(C4C6CC6C57CCC(=O)O7)C.CC12CCC3C(C1C(C(C2O)O)O)CCC4=C3C=CC(=C4)O |
CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC1=CC(=O)C(NCCS(=O)(=O)O)=CC1=O |
CC1=CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)[C@@H]1Cc1cc(C(=O)O)ccc1O |
[Br-].CCCCCCCCCCCCCCCC[n+]1ccccc1 |