smiles
stringlengths 7
778
|
|---|
NNc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCSCC2)c1
|
Cn1cc(CNc2ccccc2OCC(F)(F)F)cn1
|
CCOCCS(=O)(=O)Nc1ccc2c(c1)C[NH2+]CC2
|
c1ccc(c2cc(c3ccc4c5ccccc5c5cc(c6ccccc6)ccc5c4c3)cc(c3cccc4c5ccccc5oc34)c2)cc1
|
COc1cc(C(=O)N2CCN(S(=O)(=O)c3cccc4cc(C)cnc34)CC2)cc(OC)c1C
|
Cc1cc(=O)n(CC[NH+]2CCN(c3ccc4ncnc(OC(C)C)c4c3)CC2)cn1
|
CC1C(=O)NC(C(C)(C)C)C(=O)N1Cc1ccc(Br)cc1
|
CCCc1cc(Cl)c2c(Cl)ccc(C)c2n1
|
NCCS(=O)(=O)Cc1cc(Cl)cc2c1OCC2
|
CCC[NH+]1CCN(c2ncnc(Cl)c2CCl)CC1
|
CC1(C)CC1C(CC1CCOc2ccccc21)NN
|
CC1CC(CC(=O)NC(c2nc(c3ncn[nH]3)no2)C(C)(C)C)CC(C)(C)C1
|
COCCn1ncc(Cl)c1C(=O)CCC1CC[NH2+]CC1
|
O=C([O-])CC(COc1ccccc1)(OOc1ccccc1)C(=O)[O-]
|
O=C(c1ccccc1Br)N1Cc2cnccc2-c2ccccc21
|
CC1(C)CC(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CO1
|
[NH3+]CCc1cc(Br)ccc1N1CCCCC1
|
Cc1cc(C=NNC(=O)c2cc3ccccc3o2)c(C)n1C1CCCCC1
|
Cc1ccc(n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc(CC3CCN(C(=O)c4ccc(OC(F)(F)C(F)F)cc4)CC3)c2)cc1
|
CC([NH3+])Cc1csc(C2CCCCS2)n1
|
O=C(C[NH+]1CCCC1)N1CCN(c2ncccc2Cl)CC1
|
Cn1cnc2cc(NC(=O)CCc3ccccc3F)ccc21
|
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NCc1ccnc(N2CCCC2)c1
|
O=c1c2c3c(sc2ncn1Cc1ccc(n2cccn2)cc1)CCC3
|
CCCCCCCCCCCCOCC(C[NH3+])OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCCC(C)C)CCC32)C1
|
CCC(CC)C(C[NH3+])N1CCN(c2nccs2)CC1
|
c1ccc2sc(SCc3nc(c4ccc5c(c4)OCO5)no3)nc2c1
|
CCc1ccc(OC(=O)N2CC[NH2+]CC2)cc1
|
Cc1ncnc(CC2CSCC[NH2+]2)c1C
|
CCN(C(=O)Nc1ccccn1)C(C)C(O)c1ccccc1
|
Cc1ccc(C2CCCN2C(=O)CCCc2ccc(O)cc2)s1
|
C#CC(CC)[NH2+]C(Cc1cccs1)c1cccs1
|
CC[Si](CC)(C1=S=C(c2ccc(c3ccc(c4ccc(c5ccc([Si](CC)(CC)c6ccc(c7ccc(c8ccc(c9ccc(c%10ccc([Si](CC)(CC)c%11ccc(c%12ccc(c%13ccc(c%14ccc(C%15=S=C([Si](CC)(CC)c%16ccc(c%17ccc(c%18ccc(c%19ccc(C%20=S=CC=C%20)s%19)s%18)s%17)s%16)C=C%15)s%14)s%13)s%12)s%11)s%10)s9)s8)s7)s6)s5)s4)s3)s2)C=C1)c1ccc(c2ccc(c3ccc(c4ccc(C5=S=CC=C5)s4)s3)s2)s1
|
CCCCCCCCCCCCCCOC1COC(COp2oc3c(C(C)(C)C)cc(OC)cc3c3cc(OC)cc(C(C)(C)C)c3o2)C1Op1oc2c(C(C)(C)C)cc(OC)cc2c2cc(OC)cc(C(C)(C)C)c2o1
|
CCOC(=O)C(NC(=O)c1ccc(OC)cc1)C(=O)OCC
|
CC1CN(C(=O)C2CC(C(C)(C)C)C2)CC(C)S1=O
|
C[Si](C)(C)C(c1cc(C([Si](C)(C)C)[Si](C)(C)C)c([Si]23C=CC(c4ccccc42)C(c2ccccc2)(c2ccccc2)O3)c(C([Si](C)(C)C)[Si](C)(C)C)c1)[Si](C)(C)C
|
C[NH2+]C(CCC(F)(F)F)c1ccc(C)c2ccccc12
|
Cc1ccc(N)c(N2CC(CO)OCC2C)n1
|
CN(CC1(O)CCOCC1)c1cccc(C(=O)[O-])c1N
|
CC(C)CC(=O)NNC(=O)c1sc(c2ccccc2)nc1c1ccccc1
|
CCCCCCOc1ccc(NCC(=O)Nc2c(C)cc(C)cc2C)cc1
|
CC([NH3+])Cc1cccn1Cc1cc(Cl)ccc1Cl
|
C[NH2+]CCCN(C)S(=O)(=O)NCc1ccncc1
|
COCCNC(=O)NC(C)Cc1cc2ccccc2o1
|
O=C(Cl)C(S)c1cc(Cl)cc(Cl)c1
|
CCCS(=O)(=O)c1ccc(NC(C)Cn2cccn2)cc1
|
COc1cccc(C=C(NC(=O)c2ccccc2)C(=O)Nc2ccc(SCC(=O)Nc3cc(C)ccc3C)cc2)c1OC
|
Cc1cc(C(=O)CSc2n[nH]c(C3CC3)n2)c(C)n1c1ccc(OC(F)F)cc1
|
CC(=O)Nc1cccc(c2ccnc3c2CC(C)(C(=O)NCc2ccncc2)O3)c1
|
CSc1sc2c(C#N)cccc2c1C(=O)[O-]
|
CC(=O)N1CCC(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)(c2ccccc2)CC1
|
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC(C)(C)C)CC2)cc1Cl
|
CCCCC([NH3+])(CN1CCC(CO)C1)c1ccccc1
|
COc1ccc(Sc2ccccc2)s1
|
Cc1ccccc1c1nc(CNc2ncnc3c2cnn3c2cccc(Cl)c2)cs1
|
OC1(c2ccccc2)Cc2ccccc2C2=[NH+]CCN21
|
CCc1scnc1c1cccc(O)c1
|
CCCN(Cc1[nH]c(c2ccc3cc(c4ccc5nc(C6CCCN6C(=O)OC(C)(C)C)[nH]c5c4)ccc3c2)c[nH+]1)C(=O)OC(C)(C)C
|
[NH3+]Cc1cnc(C2COCCO2)s1
|
CC(=O)OC1CC=C(Br)C1=O
|
O=C1CC(C(=O)[O-])C(c2cccc(OCc3ccccc3)c2)O1
|
CC(NC(=O)C(C)N(c1ccc(F)cc1)S(C)(=O)=O)c1ccc2c(c1)OCCO2
|
CC(C)(C)OC(=O)N1CCCC(Nc2cccc([N+](=O)[O-])c2)CC1
|
CC(C)(C)c1nc(c2cc(Cl)c(C3(F)COC3)cn2)no1
|
CCCc1cc(F)c(c2ccc(C3CC(C)(F)C(F)(F)C3)cc2)c(F)c1
|
COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2F)C(Cc2ccccc2)C(=O)NC2CCCC2)c2ccc(F)cc2)cc1OC
|
CCOP(=O)(COc1cc(C)c(c2cccc3c(Br)c(OC)ccc32)c(C)c1)OCC
|
CC=CC(=O)Nc1cc(C(=O)NC)ccc1C
|
CC1CCC(C)(NC(=O)C(C)O)CC1
|
O=C(Nc1ccc(N2CCCC2)cn1)c1cc(Cl)c2c(c1)OCCCO2
|
CCC1Oc2ccc(c3csc(C)n3)cc2N(C(C)C(=O)Nc2ccc(Br)cc2)C1=O
|
COc1ccc(Cl)cc1S(=O)(=O)NC1CCN(C(=O)CCC(=O)c2ccccc2)CC1
|
COc1cc(C[NH3+])ccc1NC(=O)C(C)(C)C
|
Cc1ccc(S(=O)(=O)NCC(CC(C)C)[NH+]2CCN(C)CC2)cc1Cl
|
CC(OC(=O)CCc1nc(c2ccccc2)c(c2ccccc2)o1)C(=O)Nc1sccc1C(N)=O
|
CCOc1cc(CC(C[NH3+])c2ccc(F)cc2F)ccc1OC
|
CCCCCCCC1(C(=O)Oc2ccc(C(=O)C(C)OC(=O)CCCCC)cc2)C=CC(c2ccccc2)=CC1
|
COc1ccc(CCNC(=S)N2CCCN2C(=O)Cc2ccc(S(C)(=O)=O)cc2)cc1OC
|
C=CCNc1cc(N2CCN(C(=O)c3ccc(F)cc3)CC2)ccc1[N+](=O)[O-]
|
CCN(CC)c1ccc(NC(=O)C2CC23CC[NH2+]CC3)cn1
|
NC(=O)CCC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC[NH+]=C(N)N)NC(=O)C([NH3+])CC(N)=O)C(=O)[O-]
|
CCC(C)CN(C)c1nc2sccn2c1CBr
|
CCC(NC(=O)CC1CCCC[NH2+]1)C(C)C
|
CCCc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc1
|
CCCOc1ccc(C2C(c3cccc4ccccc34)=C(O)C(=O)N2c2cccc(OC(F)(F)F)c2)cc1
|
O=[N+]([O-])c1ccc(N=Nc2c(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])cc(O)c3c2O)c(S(=O)(=O)[O-])c1
|
O=C([O-])c1sc2c(c1Br)C[NH2+]C2
|
Cc1ccc(N=Cc2cc(C)ccc2OC=NC(C)(C)C)cc1
|
c1ccc(N(c2ccccc2)c2cccc(c3cccc(c4ccc5c6ccccc6n(c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)c5c4)c3)c2)cc1
|
CCC(CC)Cn1nnnc1c1ccc(N)c(Cl)c1
|
CCOc1ccc(COc2ccc(Nc3ccc4ncc(OC)nc4c3C#N)cc2OC)cc1
|
CC(=O)N(CC(=O)[O-])C1CCCN(C(=O)c2ccc(C)c(F)c2)CC1
|
CCOCc1ccccc1C[NH2+]Cc1cc(Br)c(Br)s1
|
CC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCC[NH+]=C(N)N)C(=O)NC(CCC[NH+]=C(N)N)C(=O)NC(Cc1ccc2ccccc2c1)C(=O)NCC(N)=O
|
Cc1ccc(NCc2ccc(I)cc2)cc1N(C)C
|
O=C(Nc1ccc(O)cc1)c1cccc(c2ccccc2)c1
|
O=C1CC(=S)C=CN1CCF
|
CC(=O)c1cccc(C(C)=Cc2ccc(N3C(=O)C=CC3=O)cc2)c1
|
C=C1NC(=O)N(C2CC(OCSSC(C)(C)CNC(=O)c3ccc(C4=c5cc6c7c(c5Oc5c4cc4c8c5CCCN8CCC4)CCC[N+]=7CCC6)c(C(=O)OC)c3)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C=C1C
|
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