smiles
stringlengths 3
3.54k
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COCCC1COCCN1C(=O)c1ccc2c(c1)nc(C(F)F)n2C |
C[NH+](C)CCCN1CC(C(=O)NC2CCCCCCCCCCC2)CC1=O |
CSCCC(NC(=O)C(NC(=O)C(CCSC)NC(=O)C([NH3+])Cc1c[nH]c2ccccc12)C(C)O)C(=O)[O-] |
Oc1cccc2c1CCN(Nc1ccncc1)C2 |
CCCC([NH3+])(CCC)c1c[nH]c2ccc([N+](=O)[O-])cc12 |
c1ccc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)cc2)c2ccc3sc4ccccc4c3c2)cc1 |
C[NH+](CCc1ccccc1)Cc1cc(C#CCO)cs1 |
CC(C)(C)OC(=O)N1CCC(C(=O)[O-])c2cc(C(C)(C)C)ccc21 |
COc1cc(C[NH3+])cc(Cl)c1OCC1CCC1 |
O=c1[nH]c2ccc(C(Cl)c3cc4c(s3)CCC4)cc2o1 |
O=C(NCc1cc(F)ccc1Br)c1ccc(N2CCCC2=O)cc1 |
CCOc1ccccc1C=CC(=O)N1CCC(C(N)=O)CC1 |
COC(CNC(=O)C1(C)CCC1)C(=O)[O-] |
COc1ccc(-c2cc([N+](=O)[O-])ccc2OC(C)C(=O)Nc2ccc3c(c2)OCCO3)cc1 |
C=C[NH2+]C(CSN)C(=O)[O-] |
CC(=O)Oc1c(-c2ccc(C(F)(F)F)cc2S(C)(=O)=O)cnn(C)c1=O |
CC(C)(C(=O)[O-])c1ccc(NC(=O)C2COc3ccc(Cl)cc3C2)cc1 |
CCc1c(C(=O)OC(C)C)c2c[nH][nH]c-2nc1=O |
C1C2CC3CC1CC(C1C[NH2+]C4(CC4)C1)(C2)C3 |
CC(C)[NH+]1CCC(NC(=O)c2cc(Br)ccc2Br)CC1 |
CCCCc1ccc(NC(=O)c2cc3c(=O)n4ccccc4nc3s2)cc1 |
CC(Nc1ncnc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1[N+](=O)[O-])c1ccccc1 |
Cc1cccc(C(=O)Nc2ccc(O)cc2Cl)c1I |
CCOC(c1nc(C[NH3+])cs1)C1CC1 |
CC(C)([NH3+])C(=O)Nc1ccccc1Cl |
Cc1ccc(C(C[NH3+])C(O)c2sccc2C)cc1 |
CCOC(=O)c1[nH]c(C)c(C(=O)C[NH+]2CCC(C(=O)Nc3cc(C)ccn3)CC2)c1C |
CCC(N=NCCO)c1nc(SCc2ccccc2)nc2nc(N)sc12 |
CC(C)C(=O)Nc1cccc(CNC(=O)C(C)C(C)[NH3+])c1 |
COC(CNC(=O)C(=O)Nc1cc(Cl)ccc1C#N)c1cc2ccccc2o1 |
CCCCC(NC(=O)N(CC(=O)OC)C(C)C)C(=O)[O-] |
CCCC[NH+]1CCC2(CC[NH2+]CC2)CC1 |
CSCCC(NC(=S)NC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] |
CCC([NH2+]Cc1cccnc1)c1ccccc1O |
CC12CCC(O[Si](C)(C)C(C)(C)C)CC1=CCC1C2CCC2(C)C(CO)CCC12 |
C1=C(c2ccccc2)[NH2+]C(c2ccccc2)N=C1n1c2ccccc2c2c3sccc3ccc21 |
NNc1ncc(Br)cc1C(=O)NCCCc1[nH]cc[nH+]1 |
CN1CC[NH+](CCN(C(=O)N(C)C)c2ccccc2Cl)CC1 |
CCNc1c(F)cccc1C(=O)NC1CCCCCC1 |
CC(Nc1ccc(N(C)CCO)cn1)c1ccccc1OC(F)F |
COc1ccccc1-c1cc(Br)cnc1N |
CCCCCN(C)C(=O)c1cc(NN)ccc1[N+](=O)[O-] |
COc1ccc([Si](C)(C)C2C(CC(=O)N(CCO)Cc3ccccc3)OC3(C(=O)N(Cc4ccc(N5CC[NH2+]CC5=O)cc4)c4ccc(N5CC[NH2+]CC5=O)cc43)C2C)cc1 |
Cc1c(C(=O)NCCC(C)C)sc2ncnc(NCc3ccc4c(c3)OCO4)c12 |
CCOC(=O)c1cn(-c2ccc(F)cc2F)c2cc(F)c(F)c(C)c2c1=O |
[C-]#[N+]CCOP(OC1CCC2CC=C3c4ccccc4C(=O)N3CCCCCC[NH+]21)N(C(C)C)C(C)C |
CC[NH2+]C(CCS(C)(=O)=O)C(OC)C1CC1 |
COC(=O)Cc1csc(NC(=O)C2CCCN(C(=O)c3ccc(Cl)cc3)C2)n1 |
CC1CC(O)C(C)(C)C2CCC3C(CC(O)C4C5CC(C)(C)CC(OC=O)C5CC(C)(C)C34)C12 |
Fc1cccc2[nH+]cc(I)n12 |
CS(=O)(=O)c1[nH+]cc(C[NH+]2CCCC(c3ccccc3)C2)n1Cc1ccccc1F |
Cc1cn2c([nH+]1)NCC(CCC(=O)[O-])C2 |
NC(=O)C(CNc1ncccc1[N+](=O)[O-])Cc1ccc(F)cc1 |
COc1cc2c(cc1OCCCCCC[NH+]1CCN(CCCCCCn3c4ccccc4c4ccccc43)CC1)N=CC1CCCN1C2=O |
O=S(=O)(NCC1CC2CC[NH+]1CC2C[NH+]1CCCC1)c1ccc(Cl)cc1 |
CC(C)(C)c1cc(NC(=O)c2csc(Nc3ccc(Cl)cn3)n2)no1 |
COc1csc(C(=O)NC(C)C(C)CCl)c1 |
CCC(=O)N1CCCN(C(=O)COc2ccc3c(c2)CCC3)CC1 |
COC(=O)NC(CCC(N)=O)C(=O)[O-] |
CCOc1cc(C=NNc2nc(CC(=O)OC)cs2)cc(Cl)c1OC(C)C |
CCCc1c(N)n[nH]c1COC |
CC(C)C(NC(=O)C1CCCN1C(=O)C(NC(=O)CCCCC(C)(C)NC(=O)c1cc(Cl)ccn1)C(C)C)C(=O)c1nnc(-c2ccc(F)cc2)o1 |
Cc1csc(Nc2ccc(C#N)c(F)c2F)n1 |
COc1ccc(-n2cnnc2CCC[NH3+])cc1 |