smiles
stringlengths 7
778
|
|---|
CCCOCCN(C)c1ccc(N)cc1C(=O)[O-]
|
O=C(c1cccc(Cl)c1Cl)C1CCCCCCC1
|
COC(=O)C1=COC(OC2OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C2C(C)C3OC(C)(C)OC3C12
|
N#Cc1ncc(Oc2cc3[nH]c(c4cnccn4)nc3cc2Oc2ccccc2F)cn1
|
O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(Cl)c(Cl)c1
|
CCN(CC)C(=O)NP(=O)(Oc1ccccc1)Oc1ccccc1
|
CC(C)c1ccccc1NC1C2CCCOC2C1(C)C
|
CC(C(=O)[O-])c1ccc(C2=CC(=NO)CCC2)cc1
|
Cc1ccc(C(C)(C)C)cc1CCN(C)C(C)C[NH3+]
|
Nc1ccc(c2nc(=O)c3c([nH]2)CC[NH+](Cc2ccc(c4cccs4)nc2)C3)cc1
|
N#Cc1cc([N+](=O)[O-])c(CS(=O)(=O)C(F)(F)F)c([N+](=O)[O-])c1
|
CC(O)C(C)Oc1nc(Nc2ccc(S(N)(=O)=O)nc2)ncc1Br
|
CCn1c(SCC(=O)Nc2ccc(N3CCOCC3)cc2)nnc1C(C)Oc1ccccc1
|
Cc1nc(C(=O)NCCc2ccccc2Br)nn1c1ccc(F)cc1
|
Cc1cc2n(n1)C(C1CCCCC1)CCN2
|
Cc1ccc(C(C=CC(F)(F)F)c2ccc(Cl)cc2)c(C)c1
|
CN(C)S(=O)(=O)NC1CCN(C(=O)NC2CCCCC2)CC1
|
CC(C)CNC(=O)Cc1csc(C[NH+](C)C)n1
|
O=C([O-])C1OC([NH2+]C2OC(C(=O)[O-])C(O)C(O)C2O)C(O)C(O)C1O
|
CCOC(=O)COc1c(C(=O)OC)sc(c2cccc(NC3C4CC5CC(C4)CC3C5)c2)c1Br
|
COc1cc(C=C2SC(=S)N(c3ccccc3C)C2=O)ccc1OCc1ccccc1C#N
|
COc1ccccc1OCc1ccc(C(=O)Oc2ccc(C)cc2n2nc3ccccc3n2)cc1
|
CCCCCNC(=O)C1CCN(c2ccc(Sc3cc(C)ccc3C)nn2)CC1
|
COc1cccc(CN(C(=O)c2ccco2)c2nc3nc(C)c(Cc4ccccc4)c(=O)n3[nH]2)c1
|
O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1cc(Br)c(OCc2ccccc2Cl)c(Br)c1
|
CC(CNC(=O)C1CCCCCC1)CC1(C)OCCO1
|
Cc1ccc(n2nnnc2C(C)(C)C)cc1Br
|
CCC1CC(CCC(O)[NH+]2CCOCC2)C2CC3(C)CC4(C)CC(C)C(C(C)O)C(O)C4(C)C(C)C3C(O)C2C1C
|
CNc1ncc(Cl)c(OC2CC(C)CC(C)C2)n1
|
COc1ccc(N2CCCC(C)(C)C2)cc1C(O)c1cccc(OCC2COC(C)(C)N2C(=O)OC(C)(C)C)c1
|
Cc1nc(c2cccc(N)c2)sc1CCOC=O
|
COc1c(Cl)cc(C2=C(O)C(=O)N(c3ccc(C)cc3)C2c2c(C)[nH]c3ccccc23)cc1Cl
|
COCCN(CCC(N)=S)C(=O)Nc1ccc(C)c(Cl)c1
|
CC(C)(C)[NH2+]CC1(Cc2nc(C(C)(C)C)cs2)CCOC1
|
O=C(CCc1nnc(CCCCc2ccccc2)o1)NCC1(O)CCCCC1
|
C[NH+]1CCC(CNC(=O)c2cc(C#N)cc3ccccc23)(c2ccc(F)cc2)CC1
|
CCOC(=O)c1ccccc1OCCBr
|
Nc1c(F)cccc1C(=O)N1CCSCC1
|
CCCN(Cc1ccccc1)C(=O)c1cccc(B(O)O)c1F
|
C=C(CC(C)C(C)C)C(C)CC
|
Cc1nc(C2(NC(=O)c3cccc(C)c3C)CCCC2)no1
|
CCOc1ccc(S(=O)(=O)NCCOc2ccccc2CC)cc1
|
COc1ccc(C(=O)CS(=O)c2ccccc2Cl)cc1Cl
|
CC(C)C([NH3+])C(=O)OCC1(N=[N+]=[N-])OC(n2ccc(=O)[nH]c2=O)C(O)C1O
|
COc1ccc(c2nc(C(S)CCCS(=O)(=O)c3ncccn3)[nH]c2c2ccc(OC)cc2)cc1
|
CCC(C)c1ccc(OCn2c3ccccc3c3ccccc32)cc1
|
CCC(C)n1cnc(Cl)cc1=O
|
CCC(Nc1ccc([N+](=O)[O-])cc1Br)c1ncc[nH]1
|
CC1CCC(CCl)(Nc2ccc(C(F)(F)F)cc2)CC1
|
O=C([O-])c1cc(c2noc(C(F)(F)F)n2)ccc1CBr
|
CCC(CC)NC(=O)N(C)CC(O)C1CC1
|
c1ccc(Nc2cnnc(N3CCc4ccccc4C3)n2)cc1
|
CCC12CCC3c4cc(I)c(O)cc4CCC3C1CCC2=O
|
NC(N)=[NH+]CCCC(NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NC(CCC[NH+]=C(N)N)C(=O)CCl)C(=O)CCl
|
O=C1NS(=O)(=O)CCC1(F)F
|
Cc1cccc2c1CN(C(=O)CC(C)(C)[NH3+])C2
|
CCOC(=O)C1=C(C)Nc2nc(c3ccc(F)cc3)nn2C1c1cccc(O)c1
|
CN(Cc1ccccn1)C(=O)NCc1ccccc1c1ccc(C[NH+](C)C)cc1
|
Cc1csc(=O)n1CCC(=O)Oc1cccc(C(N)=O)c1
|
COCCC([NH3+])(P(=O)([O-])[O-])P(=O)([O-])[O-]
|
CN(C)c1ccc(C2=CC3(C#N)C(=O)C(Cl)C(Cl)C(=O)C23C#N)cc1
|
Nc1ccc(c2cccnc2C(=O)Oc2ccccc2)cc1
|
CCCN(Cc1ccc(c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1cc(Cl)c(=O)nc1SCc1ccc(F)cc1
|
CC(C)(C)OC(=O)N1CCC(N2CCc3cc(S(=O)(=O)c4ccccc4F)ccc32)CC1
|
Cc1nc(N(C)Cc2ccccc2)cc(c2cccnc2)n1
|
COc1ccc(N2C(=O)C3Sc4[nH]c(=O)sc4C(c4cc([N+](=O)[O-])ccc4OCc4ccccc4C)C3C2=O)cc1
|
CC(Cc1cc(Cl)ccc1Cl)C(C[NH3+])CO
|
CCC(C(=O)NCc1cccc(O)c1)N(c1ccccc1OC)S(=O)(=O)c1ccccc1C
|
CCCC1CCC([NH+]=C2NC(CC)(CC)CS2)CC1
|
CC[NH+]1CCCCC1C(=O)NCc1cccc(OC(F)(F)F)c1
|
Cc1cccc(N2CCN(C(=O)c3ccc(S(=O)(=O)Nc4cccc(C)c4C)cc3)CC2)c1
|
CC1CN(C(=O)CNC(=O)c2cccc(Cl)c2)CCO1
|
Cc1noc(c2cccnc2N2CCN(c3cnn(C)c3)CC2)n1
|
CCC(O)C[NH2+]Cc1cc(O)cc(F)c1
|
CC(=NNC(=S)N(C)C)C(C)C
|
C[NH2+]C(CC[NH+](C)Cc1nccn1C)c1ccc(F)cc1
|
Fc1ccc2nc(NC3CC3)nn2c1
|
CC#CCC(CC[NH+](C)C)[NH2+]CC
|
O=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N(Cc1ccccc1)c1nc2c(F)cc(F)cc2s1
|
COc1cccc(F)c1C(O)C#Cc1ccccc1
|
COc1ccc(OC)c(CNC(=O)c2cnc3n(c2=O)CCS3)c1
|
Cc1ccccc1Cn1cnc(NC(=O)c2cnn3c(C(F)F)cc(c4ccccc4)nc23)n1
|
CCC(=O)NCC(O)c1ccc(Cl)cc1
|
CCCNc1nc(OC(C)C)nc(N2CCC(C)(O)C2)n1
|
Cc1cc2onc(N)c2cc1C
|
Nc1nc(NCc2ccccc2)cc(Nc2ccncn2)n1
|
COc1ccc(NC(=O)C(OC(=O)c2ccc(S(C)(=O)=O)cc2)c2ccccc2)cc1Cl
|
Cc1cc(C=O)ccc1c1ccc2c(c1)OCCCO2
|
Cc1cc(C)cc(NC(N)=[NH+]CCc2cc3ccccc3[nH]2)c1
|
CCS(=O)(=O)c1c(N)nsc1NC(C)C(C)C
|
CCN(CC)c1ccc(c2ccncc2)c(O)c1
|
Cc1cc(Cn2cc(CCBr)nn2)on1
|
CN(Cc1ccco1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(c3ccccc3)o2)cc1
|
Cc1cc(SCC(C)C(=O)[O-])ccc1C#N
|
BCCN(CCB)c1ccc([N+](=O)[O-])cc1F
|
CC1CCC(C(N)=O)CN1C(=O)CC(C)(C)C(=O)[O-]
|
O=C(CCC(F)(F)F)Nc1ccc(O)c(Cl)c1
|
CC(C)C1CCN(S(=O)(=O)c2ccc(C[NH3+])s2)CC1
|
CCC([NH3+])C(c1cccc(C)c1)N(CC(F)(F)F)C1CC1
|
CCN(Cc1ccncc1)C(=O)c1cn[nH]c1C
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.