smiles
stringlengths 5
260
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CC[C@@H](CO)NC(=O)c1ccccc1OCC |
CC[C@H](CO)NC(=O)c1ccccc1OCC |
COc1cccc(c1)Cn2cc(nn2)C(=O)OC |
CNC(=O)CCc1[nH]c2ccccc2n1 |
CC[NH+](CC)Cc1[nH]c(=O)c2ccccc2n1 |
Cc1cc(nn1C)C(=O)NCc2cccs2 |
Cc1c(non1)CC(=O)Nc2ccccc2 |
CC1=NN(C(=O)CC1)CCc2ccccn2 |
C1CC1c2nnc(s2)NC(=O)C(F)(F)F |
Cc1c(c2ccccc2o1)CNC(=O)N |
CNc1ccc2nnc(n2n1)C(F)(F)F |
Cc1nc(no1)CSc2nnc(s2)N |
CCOC(=O)c1cn(nn1)Cc2ccccc2F |
Cc1cc(n(n1)c2cc(nc(n2)C)C)C |
CCOC(=O)CSc1cc(ncn1)C |
Cc1cc(ncn1)SCC(=O)OC(C)C |
c1nc2c(c(n1)SCC(=O)[O-])CCC2 |
CCOC(=O)CSc1c2c(ncn1)CCC2 |
C[C@@H](C(=O)OC)Sc1c2c(ncn1)CCC2 |
C[C@H](C(=O)OC)Sc1c2c(ncn1)CCC2 |
c1ccc(cc1)c2cc(ncn2)NCC(=O)[O-] |
CSc1nnc(n1N)c2ccc(cc2)F |
CCSc1nnc(n1N)c2ccc(cc2)F |
Cc1ccc(cc1)c2nnc(n2N)SC |
CNc1c2ccc(cc2ncn1)C(=O)[O-] |
C[C@@H](CNc1c2ccc(cc2ncn1)C(=O)[O-])O |
C[C@H](CNc1c2ccc(cc2ncn1)C(=O)[O-])O |
Cc1c(nc2ncnn2c1NCc3ccco3)C |
C[C@@H](C(=O)NC1CC1)OC(=O)c2cccs2 |
C[C@H](C(=O)NC1CC1)OC(=O)c2cccs2 |
c1cc(ccc1C(=O)NC2CC2)NC(=O)C3CC3 |
Cc1nnc(s1)N(C)C(=O)c2ccccn2 |
Cc1nnc(s1)N(C)C(=O)c2ccncc2 |
Cc1nnc(s1)N(C)C(=O)c2cccnc2 |
CCC(=O)Nc1ccc(cn1)NC(=O)C |
CC(C)C(=O)Nc1ccc(cn1)NC(=O)C |
CC(=O)Nc1ccc(nc1)NC(=O)C2CC2 |
c1cc(ncc1NC(=O)C2CC2)NC(=O)C3CC3 |
CC(=O)c1cccc(c1)NC(=O)c2csnn2 |
Cc1ccc(cc1)CNC(=O)c2csnn2 |
COc1ccc(cc1)CNC(=O)c2csnn2 |
c1cc(cc(c1)F)CCNC(=O)c2cnccn2 |
C[C@@H](CCc1ccco1)NC(=O)c2cnccn2 |
C[C@H](CCc1ccco1)NC(=O)c2cnccn2 |
c1cc(ccc1CCNC(=O)c2cnccn2)F |
CS(=O)CCNC(=O)Nc1ccc(cc1)F |
Cc1cc(n2c(n1)ncn2)NCC(C)C |
CCN(CC)C(=O)CSc1ncccn1 |
c1cc(oc1)CNC(=O)COC(=O)c2ccco2 |
COC(=O)c1cccn(c1=O)Cc2ccccc2 |
c1ccc(cc1)n2c(c3n(c2=O)CSC3)[O-] |
c1ccc2c(c1)OC[C@H](O2)C[NH+]3CCCC3 |
c1ccc2c(c1)OC[C@@H](O2)C[NH+]3CCCC3 |
c1cc(ccc1CNC(=O)[C@H]2CCCO2)C(=O)[O-] |
c1cc(ccc1CNC(=O)[C@@H]2CCCO2)C(=O)[O-] |
COc1ccccc1OCCn2cncn2 |
Cc1cc(c2ccccc2n1)C(=O)NCC(=O)[O-] |
CC(=O)Nc1cc(ccc1F)S(=O)(=O)C |
c1ccc(cc1)/C=C/C(=O)N2CCC(=O)NCC2 |
C1CCC(C1)(CC(=O)NC2CC2)CC(=O)[O-] |
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+] |
CNC(=O)C(c1ccccc1)(c2ccccc2)O |
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 |