smiles
stringlengths 7
778
|
|---|
CC(C)NC(=O)CCS(=O)CC(=O)c1cc2ccccc2o1
|
CCCSc1nc2n(n1)C(c1ccc(OCC(=O)N3CCCCC3)c(OCC)c1)C(C(=O)Nc1ccccc1OCC)=C(C)N2
|
COC(=O)Cn1c(C)c(Br)c2cc(C)ccc21
|
CNc1ccc(C(=O)NCc2cncs2)cc1
|
CC(C)(O)CCC(CC(O)C(Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)c1[nH]cc[nH+]1
|
COC(=O)c1c(NC(=O)C[NH+]2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)c2cc(C)ccc2n1C
|
Cc1c(C(=O)Nc2ccc(C3=CCC([NH+]4CCOCC4)CC3)nc2)cnn1c1ccc(F)cc1
|
CCN(CC)C(=O)c1cc(Cl)ccc1NC(=O)C(NC(=O)C1CC[NH+](C(C)C(=O)Nc2cccc(C(=O)Nc3ccc(C)c(F)c3)c2C)CC1)C(C)C
|
COc1ccc2[nH]c3c(c2c1)CC(CS(=O)(=O)[O-])n1c-3c[nH+]c1C
|
O=S(=O)([O-])c1ccc(C(c2ccccc2)c2ccccc2)cc1
|
CC(C)n1ncnc1CC(=O)c1cnccn1
|
CCC(CO)N1C(=O)C2C3C(=O)N(C)CC=CC3OC23C=CCN(Cc2ccccc2)C(=O)C13
|
CCCCOCCNC(=O)c1sc2cc(Cl)ccc2c1N
|
O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1cccc([N+](=O)[O-])c1
|
CN(CCC1CCOCC1)C(=O)CC1C(=O)NCC[NH+]1Cc1ccccc1F
|
C[NH2+]C1CCCc2ccc(OCCCC(F)(F)F)cc21
|
Cc1cc(C)c(NC(=O)CSc2ccc(F)c(F)c2)c(Cl)c1
|
Nc1nc(c2ccc(F)cn2)co1
|
CC(=O)C(C)C(=O)CC(=O)C(C)C(O)c1cc(N)cc(O)c1
|
CC[NH+]1CCC=C(CC(C)(C)C(=O)[O-])C1
|
Cn1nc(Sc2ccc(C(=O)[O-])c(Cl)c2CC(C)(C)C)n(C)c1=O
|
COc1cc(C=CC(=O)c2cc(C)ccc2OC(F)F)cc([N+](=O)[O-])c1[O-]
|
C=C(CCCCCCCC)C1=CCCCC1
|
CCOC(=O)C1=NN(c2ccc(OC)cc2)C2(S1)SC(C(=O)OCC)=C(C)[NH+]2C
|
CC=C(C)C=C(CC1C=C1C)OCF
|
COc1ccc(NC(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3sc4ccccc4c32)cc1
|
CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(N3CCN(CC[NH+](C)C)CC3)C2[NH+](C)C)C(C)(OC)CC(C)C(=O)C(C)C(O)C1(C)O
|
Cc1c(C(=O)Nc2cnccn2)cnn1Cc1ccccc1
|
CC#CC1(C)CCC2C3CCC4=CC(=O)CCC4=C3C(c3ccc(N)cc3)CC21C
|
CCOc1cc(Cl)c(CC#N)cc1C1OC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1
|
COC1CCC2C3CCC4=CC(=O)C(CCl)CC4(C)C3C(O)CC12C
|
CCOc1cccc(C(CO)N2CCC[NH2+]CC2)c1
|
C=CCCC[NH2+]C(C)CC[NH3+]
|
Cn1ccnc1c1cnn2c(N(c3ccc(C(F)(F)F)cc3)c3nnc4cc(c5nccn5C)cnn34)nnc2c1
|
O=Cc1ncnn1C[Si]C(c1ccc(F)cc1)c1ccc(F)cc1
|
CC(NC(=O)c1ccc(Nc2ncnc3c2CCN(c2ccc(C#N)c(CF)c2)C3)nc1)c1nnco1
|
CONC(=O)c1cc(CCC(C=N)C[NH3+])cc(OC)c1
|
COc1ccc(c2nonc2NC(=O)c2cccc3ccccc23)c(C)c1
|
O=C1CCCC(C(=O)N2CCCCCc3ccccc32)N1
|
CCCCNC(=O)C1(NC(=O)CCNC(=O)c2cc(F)ccc2Br)CCCCC1
|
CC(F)(F)Cc1ccccc1C1([NH3+])CCCCC1
|
O=C(CC[NH2+]CC(O)COc1cccc2[nH]ccc12)NCCCO[N+](=O)[O-]
|
Clc1nc(c2ccc(Br)o2)nc(C2CCCC2)c1I
|
C=CN(C)C(CCC1(CC)c2ccccc2-c2cccc[n+]2C1(C)CC)C(C)=CC
|
Cc1ncc([N+](=O)[O-])n1CCNC(=O)CN1CC[NH+](CC(=O)[O-])CCN(CC(=O)NCCn2cncc2[N+](=O)[O-])CC[NH+](CC(=O)[O-])CC1
|
CC1(C)CN(C(=O)OCc2ccccc2)C(=O)C1O
|
Cc1ccc(c2cc(C(O)C3CCCCN3C(=O)[O-])c3ccccc3n2)cc1C#N
|
CCCCCCN(CC[NH+]1CCOCC1)S(=O)(=O)c1c(C)nn(C)c1Cl
|
NCC([NH2+]CCCCCO)c1cc(Cl)ccc1Cl
|
Cc1ccc(Cn2c3nc(c2C)C(=O)NC(C(C)C)c2nc4c(C)n2Cc2ccc(nc2)-c2ccc(cn2)Cn2c5nc(c2C)C(=O)NC(C(C)C)c2nc(c(C)n2Cc2ccc(C)nc2)C(=O)NC(C(C)C)c2nc(c(C)n2Cc2ccc(nc2)-c2ccc(cn2)Cn2c(nc(c2C)C(=O)NC3C(C)C)C(C(C)C)NC4=O)C(=O)NC5C(C)C)cn1
|
CN(C)C(=O)c1cccc(S(=O)(=O)N2CCC(C)(C(=O)[O-])C2)c1
|
COCCn1ncc(Cl)c1C(O)c1coc2ccccc12
|
Cc1nc(C[NH2+]CC(C)(O)C[NH+](C)C)no1
|
CCCCCCCCOc1cc(O)c(C(C)=O)cc1Br
|
CN(C)C(=O)c1cc(Oc2ccc(C(=O)[O-])cc2)ccc1O
|
Cc1ccc(S(=O)(=O)N(C)CCN2CC[NH2+]CC2)c(Br)c1
|
NS(=O)(=O)c1c(Br)cccc1Br
|
CC(C)(CNC(=O)Nc1ccc([N+](=O)[O-])cc1Br)C(=O)[O-]
|
CC(C)CN(CCC#N)c1nccnc1Cl
|
CCCc1nnc(SCc2cccc(F)c2)n1N=Cc1ccccc1Cl
|
O=C(NCc1ccc2c(c1)OCO2)Nc1c(Cl)cc(Cl)cc1Cl
|
CC[NH+](Cc1cccc(C)n1)CC1(C[NH3+])CCCOC1
|
Cc1cc(C(=O)Nc2cccc(Cl)c2)nc(N2c3ccccc3CC2C)n1
|
CCOc1ccc(C2=C(O)C(=O)N(c3ccc(N4CCCCC4)cc3)C2c2ccc(OCC(C)C)cc2)cc1
|
CCCCCCCCCCCCCCCCCCCC(=O)NC(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3CC(C)=O)C(OC3(C(=O)[O-])CC(O)C(NC(C)=O)C(C(O)C(O)CO)O3)C2O)C(O)C1O)C(O)CCCCCCCCCCCCCCC
|
Cc1ccc(NC(=O)CC2CSCC[NH2+]2)c(C)c1
|
CCNc1cc(NCCOCC2CC2)nc(C(C)(C)C)n1
|
CCC(Nc1ccccc1OC)C(C)C
|
CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C1C[NH2+]CCO1
|
O=S(=O)(c1ccc(F)cc1Br)N1CCCC2CCCCC21
|
NC(=[NH+]OCc1ccc(F)cc1Cl)c1ccsc1
|
COc1ccc(NC(=O)Cn2nc3c(Oc4ccc(C(C)C)cc4)nc4ccccc4n3c2=O)cc1
|
COc1ccc(NS(=O)(=O)c2ccc(F)cc2C)c(O)c1
|
CN(C)c1ncccc1C(=O)NCC(O)c1cc2ccccc2s1
|
COc1ccc2c(CC(=O)Nc3ccc(C)cc3C)coc2c1
|
COc1cc(C[NH3+])ccc1S(=O)(=O)NC(C)c1nccs1
|
O=C([O-])CCCCCc1ccc(F)c(Br)c1
|
CCCNC(=O)C(C)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1
|
O=C(C=Cc1ccc(Br)s1)NCCNc1ccc([N+](=O)[O-])cc1
|
Cc1ccc(NC(=O)CNC(=O)c2c(F)cccc2Cl)cc1C
|
CCOC(C(=O)c1c[nH]c2ccccc12)C1CC1
|
COc1ccc(c2ccc([O-])c(C#N)c2)c(OC)c1Br
|
N#Cc1ccc(C(=O)NN=Cc2cccc(O)c2)cc1
|
CC[NH+]1CCCC1CNC(=O)c1nn(C)c(=O)c2ccccc12
|
CC(C)(C)C(=O)Nc1nc(c2ccccn2)cs1
|
COCC(NC(=O)c1cc(C)cc(C(=O)[O-])c1)C1CC1
|
Cc1nc(C(=O)NCC2CN(S(C)(=O)=O)Cc3ccnn32)cs1
|
CC1CCc2c(sc(NC(=O)c3nn4c(C(F)(F)F)cc(c5cccs5)nc4c3Br)c2C#N)C1
|
C1=CC2C=CC=C(N(c3ccccc3)c3ccc(c4ccc(c5ccc(N(c6ccccc6)c6ccc(c7ccc(c8ccc(N(c9ccccc9)c9cccc%10ccccc9%10)cc8)cc7)cc6)cc5)cc4)cc3)C2C=C1
|
CCS(=O)(=O)C1=[NH+]SC2=[NH+]C(=O)C(=Cc3ccc(c4ccc(F)cc4)o3)C(=[NH2+])N21
|
CC(C)CC(C(=O)NC[NH3+])c1cccc(c2ccc(N3CC[NH2+]CC3)cc2)c1
|
CC(C)c1ccccc1NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1
|
Cc1ccc(c2ccc(CCc3ccc(C)cc3F)cc2)cc1
|
C=C(C)C(=O)OC(O)[N+](C)(C)CCC
|
CC([NH2+]CC(N)C(=O)[O-])C(=O)NC1CC1
|
[C-]#[N+]C1CC2CC1C1CC(C)(C)CC21
|
COc1cc(C(F)(F)F)ccc1C1(C(=O)[O-])CCC1
|
O=C([O-])C[NH+]1CCC(OCc2ccccc2)CC1
|
C=CCCCCCC(O)c1cccc(F)c1
|
c1cc(c2nnc3n2CCCCCC3)cc2c1OCCO2
|
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