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Compound Smiles Mol
C501605
C#CCCC1(CC(=O)O)OCCO1
C501611
OCC1CNCC2(CCOCC2)O1
C501614
O=C(O)C1NCC12CCC(F)(F)CC2
C501619
C=CCC1(NC(=O)OC(C)(C)C)CCOCC1
C501620
COC(=O)CCc1ccc(OCCN)cc1
C501621
COC(=O)c1cc(F)cc(C(=O)O)c1Cl
C501622
NCc1ccc(-c2ccco2)cc1
C501623
O=C1CCC(=O)N1OCc1ccccc1
C501626
CC1CNCC2(CN(C(=O)OC(C)(C)C)C2)O1
C501627
OCC1OC2CC1C2
C501630
COC(=O)Cc1ccc2c(c1)CNCC2
C501632
COC(=O)Cc1c(C)c2ccc(O)c(O)c2oc1=O
C501633
CC(C)(C)OC(=O)NC1CN(c2ccccc2CN)C1
C501634
COC(=O)CC1CN(C(C)C(F)(F)F)C1
C501635
O=C(OCc1ccccc1)N1CCCCCCCC1
C501637
CC(C)N1CCC(N)c2ccccc21
C501638
CC(C)(C)OC(=O)N1CCc2ccnnc21
C501644
C=C1CC(C(O)c2cnn(C)c2)C1
C501645
FC(F)(Cl)c1cnc(Cl)c(Cl)c1
C501647
CSCCC(NC(=O)C(C)O)C(=O)O
C501654
O=C(O)c1cccc(N2CC(F)(F)C2=O)c1
C501655
CC(C)(C)C1CCN(CCCBr)CC1
C501656
O=C1Cc2ccc(O)cc2N1
C501657
CCN(C(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1
C501658
Clc1ccccc1Cn1ccc2ccccc21
C501659
NCC12CCC(CC1O)C2
C501660
COc1cc(C(=O)NCCN=[N+]=[N-])ccc1N1CCC(=O)NC1=O
C501663
COc1cccc(COc2ccccc2C(C)O)n1
C501664
Cc1ccc(C(=O)Nc2ccc(N)cc2)o1
C501665
Clc1nc(Cl)c2c(n1)CCN(Cc1ccccc1)C2
C501668
Cc1cc(C)c2nccc(Cl)c2c1
C501669
O=Cc1c(O)ccc2ccc(=O)oc12
C501672
COC(=O)C1CNCC1c1ccccc1F
C501674
Cc1nc(Cl)nc(C)c1Br
C501675
O=S(c1ccccc1)C(F)F
C501677
CCN(CC(C)O)C(=O)Nc1ncc(Oc2ccc(C#N)c(F)c2)s1
C501678
O=Cc1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12
C501679
CCOC(CNC(=O)c1cc(Br)c[nH]1)OCC
C501680
OC1CSC2(CCNCC2)C1
C501682
CC(C)(C)OC(=O)N1CCC12COC2
C501684
CN(C)c1nc2ccccc2cc1C=O
C501685
CC1CC2C(=O)N(Cc3ccccc3)C(=O)C12
C501686
COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)Cc1ccc(Br)cc1
C501687
CN(C)CCn1ccnc1C1CCCN(c2ccnc3ccccc23)C1
C501689
[N-]=[N+]=NCCCOC1CC1
C501690
COc1cc(F)c(C2CNC(=O)C2NC(=O)Nc2ccccc2)c(F)c1