SMILES
stringlengths 5
260
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CC[C@@H](CO)NC(=O)c1ccccc1OCC
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CC[C@H](CO)NC(=O)c1ccccc1OCC
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COc1cccc(c1)Cn2cc(nn2)C(=O)OC
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CNC(=O)CCc1[nH]c2ccccc2n1
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CC[NH+](CC)Cc1[nH]c(=O)c2ccccc2n1
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Cc1cc(nn1C)C(=O)NCc2cccs2
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Cc1c(non1)CC(=O)Nc2ccccc2
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CC1=NN(C(=O)CC1)CCc2ccccn2
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C1CC1c2nnc(s2)NC(=O)C(F)(F)F
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Cc1c(c2ccccc2o1)CNC(=O)N
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CNc1ccc2nnc(n2n1)C(F)(F)F
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Cc1nc(no1)CSc2nnc(s2)N
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CCOC(=O)c1cn(nn1)Cc2ccccc2F
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Cc1cc(n(n1)c2cc(nc(n2)C)C)C
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CCOC(=O)CSc1cc(ncn1)C
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Cc1cc(ncn1)SCC(=O)OC(C)C
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c1nc2c(c(n1)SCC(=O)[O-])CCC2
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CCOC(=O)CSc1c2c(ncn1)CCC2
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C[C@@H](C(=O)OC)Sc1c2c(ncn1)CCC2
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C[C@H](C(=O)OC)Sc1c2c(ncn1)CCC2
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c1ccc(cc1)c2cc(ncn2)NCC(=O)[O-]
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CSc1nnc(n1N)c2ccc(cc2)F
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CCSc1nnc(n1N)c2ccc(cc2)F
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Cc1ccc(cc1)c2nnc(n2N)SC
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CNc1c2ccc(cc2ncn1)C(=O)[O-]
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C[C@@H](CNc1c2ccc(cc2ncn1)C(=O)[O-])O
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C[C@H](CNc1c2ccc(cc2ncn1)C(=O)[O-])O
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Cc1c(nc2ncnn2c1NCc3ccco3)C
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C[C@@H](C(=O)NC1CC1)OC(=O)c2cccs2
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C[C@H](C(=O)NC1CC1)OC(=O)c2cccs2
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c1cc(ccc1C(=O)NC2CC2)NC(=O)C3CC3
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Cc1nnc(s1)N(C)C(=O)c2ccccn2
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Cc1nnc(s1)N(C)C(=O)c2ccncc2
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Cc1nnc(s1)N(C)C(=O)c2cccnc2
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CCC(=O)Nc1ccc(cn1)NC(=O)C
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CC(C)C(=O)Nc1ccc(cn1)NC(=O)C
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CC(=O)Nc1ccc(nc1)NC(=O)C2CC2
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c1cc(ncc1NC(=O)C2CC2)NC(=O)C3CC3
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CC(=O)c1cccc(c1)NC(=O)c2csnn2
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Cc1ccc(cc1)CNC(=O)c2csnn2
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COc1ccc(cc1)CNC(=O)c2csnn2
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c1cc(cc(c1)F)CCNC(=O)c2cnccn2
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C[C@@H](CCc1ccco1)NC(=O)c2cnccn2
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C[C@H](CCc1ccco1)NC(=O)c2cnccn2
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c1cc(ccc1CCNC(=O)c2cnccn2)F
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CS(=O)CCNC(=O)Nc1ccc(cc1)F
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Cc1cc(n2c(n1)ncn2)NCC(C)C
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CCN(CC)C(=O)CSc1ncccn1
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c1cc(oc1)CNC(=O)COC(=O)c2ccco2
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COC(=O)c1cccn(c1=O)Cc2ccccc2
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c1ccc(cc1)n2c(c3n(c2=O)CSC3)[O-]
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c1ccc2c(c1)OC[C@H](O2)C[NH+]3CCCC3
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c1ccc2c(c1)OC[C@@H](O2)C[NH+]3CCCC3
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c1cc(ccc1CNC(=O)[C@H]2CCCO2)C(=O)[O-]
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c1cc(ccc1CNC(=O)[C@@H]2CCCO2)C(=O)[O-]
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COc1ccccc1OCCn2cncn2
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Cc1cc(c2ccccc2n1)C(=O)NCC(=O)[O-]
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CC(=O)Nc1cc(ccc1F)S(=O)(=O)C
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c1ccc(cc1)/C=C/C(=O)N2CCC(=O)NCC2
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C1CCC(C1)(CC(=O)NC2CC2)CC(=O)[O-]
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C[NH+](C)CCNc1ccc(cc1)S(=O)(=O)C
|
C[NH+]1CCN(CC1)C(=O)c2ccc3cc[nH]c3c2
|
CC(=O)OCC(=O)c1ccc(c(c1)OC)OC
|
CN1c2cccc3c2c(ccc3)S1(=O)=O
|
c1ccc(c(c1)OCCn2cncn2)F
|
Cc1ccccc1S(=O)(=O)N2CCOCC2
|
CC(=O)Nc1cccc2c1ccn(c2=O)C
|
Cn1cc(ccc1=O)C(=O)Oc2ccc(cc2)F
|
Cc1ccc(cc1)NC(=O)c2ccnn2C
|
COc1ccc(cc1C(=O)NCC(=O)[O-])Cl
|
Cc1ccc(cc1)OCCn2cncn2
|
CCCCOC(=O)c1ccnc(c1)C(=O)[O-]
|
CCCCOC(=O)c1ccc(nc1)C(=O)[O-]
|
CCCC(CCC)C(=O)N(C)CC(=O)N
|
CCCC(CCC)C(=O)NCC(=O)NC
|
CCCC(CCC)C(=O)N[C@@H](C)C(=O)N
|
CCCC(CCC)C(=O)NCCCC(=O)N
|
CCCC(CCC)C(=O)NCCC(=O)N
|
CCCC(CCC)C(=O)NCC(=O)N(C)C
|
CC1(C(C1(C)C)C(=O)NCCCC(=O)N)C
|
CNC(=O)NCCCc1cccc(c1)OC
|
CCOC(=O)CC[NH+](CC(=O)OCC)C(C)C
|
CNC(=S)NNc1cccc(c1)N(=O)=O
|
CC(=O)NCc1ccccc1N2CCCC2
|
c1ccc(cc1)C(=O)Nc2cnns2
|
CCC(=O)N[C@@H](Cc1ccc(cc1)F)C(=O)[O-]
|
CCC(=O)N[C@H](CC(=O)[O-])c1cccs1
|
CC[NH+](CC)CCNc1c2c(nc[nH]2)ncn1
|
c1ccc(cc1)NC[C@@H](C[NH+]2CCCC2)O
|
Cc1c(nc(o1)c2ccccc2)C(=O)N
|
CC[C@H](C)[C@@H](C(=O)[O-])NC(=O)C(F)(F)F
|
Cc1nc(c2cnn(c2n1)C)NCc3ccco3
|
Cc1c(n(c(=O)[nH]1)Cc2ccccc2Cl)[O-]
|
CC(=O)N=C(Cc1ccccc1)C(=O)OC
|
CC(C)[C@@H](CO)NC(=O)c1ccccc1
|
c1ccc(cc1)C[C@H](C(=O)Nc2ccncc2)[NH3+]
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CNC(=O)C(c1ccccc1)(c2ccccc2)O
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CCCOC(=O)c1c(cc(=O)oc1C)C
|
c1ccc(cc1)[C@@H](C(=O)OC[C@H]2CCCO2)O
|
c1ccc(cc1)[C@H](C(=O)OC[C@H]2CCCO2)O
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