smiles
stringlengths 7
778
|
|---|
CCOCCOc1cccc(NCc2ccc(OCCC(C)C)cc2)c1
|
CC(C)C(=O)Nc1ccc(C(=O)CSc2nnc(c3cccs3)n2CC2CCCO2)cc1
|
CC[NH2+]CC(O)Cn1cc([N+](=O)[O-])cc(Br)c1=O
|
Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCc3cnn(c4ccccc4)c3)CC2)c(C)c1
|
Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)COc2ccc(Br)cc2F)cc1
|
COc1ccc(C(=O)NN=C2CC3CCC2C3)cc1
|
COc1ccc(N2C(=[NH+]c3ccccc3)CC2c2ccc(Br)cc2)cc1
|
Cc1nc(CC2(F)CC[NH2+]CC2)sc1C
|
Cc1ccc(c2noc(CCC(=O)NCC3(CO)CC3)n2)cc1F
|
COc1cc(C(=O)[O-])c(c2ccc(Oc3ccccc3C(C)(C)C)c(NC(=O)Nc3ccc(C)cc3)c2)cc1OC
|
CCC(CC(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)OC(=O)C1CC2C=CC1C2
|
CCOC(=O)C(Cl)Cc1ccc(Cl)cc1F
|
Cc1cc(NC(=O)c2ccccc2c2cccnc2)ccc1C(=O)N1Cc2cccnc2Oc2ccccc21
|
CC(c1nnnn1C1CCCCC1)[NH+]1CC(=O)N(CC(F)(F)F)C1
|
CC[NH+]=C1NC2C(O)CC(C[NH2+]C3CCOCC3)OC2S1
|
CCC[NH2+]C(Cc1nccs1)c1cccc(S(C)(=O)=O)c1
|
O=C(Nc1cccc(c2ccc(=O)[nH]n2)c1)NC1N=C(c2ccccc2F)c2ccccc2N(CC(=O)N2CC3CCC(CC3)C2)C1=O
|
CCS(=O)CCNC(=O)N1CCC(C)(C(=O)[O-])C1
|
Cc1ccc(S(=O)(=O)N2CC[NH+](CC(=O)Nc3cccc(F)c3)CC2)cc1
|
CCc1[nH]c(C(=O)NC(C(=O)NC)c2ccc(F)c(F)c2)c(C)c1C(=O)OC
|
CCOc1ccc(NC(CC)c2ccc(F)cc2)cc1Cl
|
O=C=NC1(c2ccc(CCC3(O)CC3)cc2)CC1
|
NC(=O)CCCNC(=O)c1cc(Br)cc2ccccc12
|
CCCC(=S)Cc1ccc2c(c1N(C)C)CCC2Nc1cccs1
|
O=C([O-])CC1(NC(=O)c2ccc(C(F)(F)F)nc2)CCOCC1
|
CN(Cc1ccccc1N1CCCCC1)C(=O)CCc1ccc(S(N)(=O)=O)cc1
|
CCC1(C)CCN(S(=O)(=O)c2cc(Br)cnc2NC)CC1
|
C=CCn1c(SCC(=O)Nc2cccc(Br)c2)nnc1c1ccccc1O
|
CC[NH+](CC)CN[Si]c1ccccc1
|
CN(c1ncc(C#N)cc1Cl)C1CC[NH+](Cc2ccncc2)CC1
|
COC(CCCCC(=O)[O-])(Cn1c(O)ccc1O)OC
|
COc1ccc(C)cc1c1nnc(N)c2ccccc21
|
COc1c(C(C)CO)cccc1S(C)(=O)=O
|
O=C([O-])CC(NC(=O)Nc1cccnc1)C1CC1
|
CSCCCNC(=S)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1
|
Cc1ccc2nc(N=Cc3ccc(Br)cc3)sc2c1
|
N#Cc1ccc(Nc2nncc(NCc3ccccc3)n2)cc1
|
OC1C[NH2+]C(C2NCCc3c2ccc(F)c3Cl)C1
|
CCc1ccc(c2csc(NC(=O)CSc3nc4ccccc4[nH]3)n2)cc1
|
O=C1CCOCC1Cn1c(=O)[nH]c2ncc(c3cnc4[nH]ccc4c3)cc21
|
COC(=O)NC1CCN(C(=O)C(C)Oc2ccc(C(C)C)cc2)CC1
|
CC(C)N1CC(C(=O)N2CCCC(C(=O)c3nccn3C)C2)CC1=O
|
CCC(C)Oc1cc(C)ccc1CNC(NCc1nncn1C)=[NH+]C
|
CNC(=O)c1ccc(OC)c(C#CCO)c1
|
O=C(NC1CCC(C(=O)[O-])CC1)c1c[nH]c(C(=O)N2CCCC2)c1
|
COc1cc(C[NH2+]C2CC[NH+](C)CC2C)ccc1O
|
C=NC(=Cc1c(C)oc2cnc(c3ccc4c5nncnc5n(c5ccccc5)c4c3)cc12)c1ccc2c3nncnc3n(c3ccccc3)c2c1
|
O=C(C1CCC1)N1CCC(c2nnc3ccc(N4CCC4)nn23)CC1
|
CCCc1ccc(S(=O)(=O)NCc2ccc(Br)cc2)cc1
|
CCN(C)c1ccc(C[NH2+]C2CC2)c(Br)c1
|
O=C(Nc1ccc(CN2CCCC2=O)cc1)c1ccc(C2CCC2)cc1
|
O=C(Nc1ccc(Oc2ccc(O)cc2)cc1)Nc1ccc(Oc2ccc(O)cc2)cc1
|
[NH3+]C(CC1CCCCC1)C(O)C(=O)NNC(=O)c1ccc(F)cc1
|
Cc1ccc(C2=CC(O)(c3ccccc3)N(C(C)(C)CC(C)(C)C)C2=O)cc1
|
Cc1cccc(NC(=O)COCC2CC[NH2+]CC2)c1
|
CCn1ncnc1CC1([NH3+])CCCC(C)C1C
|
CCS(=O)(=O)Nc1ccc(F)cn1
|
COC(=O)c1ccc2nc3c(Cl)ccc(Cl)c3nc2c1
|
Cc1cccc(CC(O)C=CC2C(O)CC3C=C(CCCCCC[NH+]4CCCC4)CC32)c1
|
CCC1OCCC1C[NH2+]Cc1ccc([N+](=O)[O-])s1
|
N#Cc1ccc(c2nnc(CCCCC[NH3+])o2)cc1
|
CN(C)S(=O)(=O)c1ccc(C(=O)N2CC(O)C2)cc1
|
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)COC(=O)CSC(=S)N1CCCC1
|
CC1(C)COCCN1C(=O)C1CC(O)C[NH2+]1
|
CC(CO)C(=O)C(O)(CC(=O)[O-])C[N+](C)(C)C
|
CC1C[NH+]2CCCCC2CN1C(=O)c1ccccc1F
|
Cc1c(C(F)(F)F)nn(C)c1NC(=O)N(C)CC1CCC[NH+]1C
|
NC(=O)c1ccc(c2ccc(F)c(N3CCC4(CC3)CCN(C3CCC(O)CC3)C4=O)c2)cc1
|
Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2ccc3nc(Cl)ccc3c2)CC1
|
C=CC[NH2+]CC1(CCO)CC1
|
FC1(F)CC(COc2cccnc2Cl)C1
|
CCCCC1COC(c2ccc(c3ccc(C#N)cc3)cc2)OC1
|
CC[NH2+]Cc1ccccc1S(=O)(=O)NCc1nc(C)no1
|
O=C1NCC(c2ccc(O)c3[nH]c(=O)ccc23)O1
|
CC1CCC(C)(N(C)c2ncc(C(=O)N3CCS(=O)(=O)CC3)c(C(F)(F)F)n2)CC1
|
CCSCCC[NH+](C)Cc1ccc(N)cc1
|
CCCCCCCCC1=C(CCCCCCC(=O)[O-])C(=O)CC1
|
O=C([O-])C1CCC1C(=O)N1CCN(C(=O)C2CCCO2)CC1
|
CCOCCNC(=O)c1cc[nH]c(=O)c1
|
C[NH+]1CCN(C(=O)c2cc3cc(Nc4nccc(c5cc(OCC(CO)CO)cc(c6cc(Nc7nccc(c8cc(OCC9(C)COC9)c(c9cc(c%10cc(OC%11CC=CC%11)ccn%10)nc(Nc%10ccc%11[nH]c(C(=O)N%12CC[NH+](C)CC%12)cc%11c%10)n9)cn8)n7)cc7cc(C(=O)N8CC[NH+](C)CC8)[nH]c76)n5)n4)ccc3[nH]2)CC1
|
CC12C=CC3=C4C(=CC=C(C(=O)N(CCOC(=O)CCCC(=O)OCC5COc6cscc6O5)C1=O)C42)C(O)N(CCOC(=O)CCCC(=O)OCC1COc2cscc2O1)C3=O
|
COC1(C(Br)c2ccccc2)NC(=O)CN(C(C)=O)C1=O
|
O=C(NC1C[NH+]2CCC1CC2)c1ccc(=O)n(c2ccc(F)cc2Cl)c1
|
COCC1(O)CN(c2nncs2)C1
|
OC1CCCc2cn(Cc3cncc(F)c3)cc21
|
CCCc1cc(c2ccc(OC)c(OC)c2)nc(C#N)n1
|
CC(C(C)[NH+]1CC(=O)N(COC(=O)C(Cl)c2ccccc2)C(=O)C1)N1CC(=O)N(COC(=O)C(Cl)c2ccccc2)C(=O)C1
|
COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)CC1(C)CCC[NH+]1C3
|
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1
|
CN(C)C(=O)Cc1ccc(NC(=O)C2([NH3+])CCOC2)cc1
|
O=C(COC(=O)c1c(Cl)cccc1Cl)NCCN1C(=O)CSC1=S
|
Cn1ccnc1C(O)c1ccc(Oc2ccc(Cl)cc2)cc1
|
Cc1ccc(SCCNC(=O)COC(=O)c2c(C)noc2N)cc1
|
Cc1cc(c2c(C)cccc2F)ccc1F
|
CC1c2nnc(C3CCCC3)n2CCN1C(=O)NCC1CCCC[NH+]1C1CC1
|
Oc1ccccc1Cc1nc2ccccc2nc1c1cccc(Cl)c1
|
COc1ccccc1N1CC[NH+](CCNC(=O)c2ccc(F)cc2Cl)CC1
|
CCC(CC(=O)[O-])Cn1nnnc1c1cncc(C)c1
|
COc1cc(C)c(c2csc(CC[NH3+])n2)c(C)c1C
|
CCCCOc1ccc(N2C(=O)CC(Sc3nncc(c4cc5ccccc5o4)n3)C2=O)cc1
|
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