id
stringlengths 36
36
| task
stringclasses 3
values | question
stringlengths 104
613
| src_smiles
stringlengths 8
519
| ref_smiles
stringlengths 8
515
| add_group
stringclasses 9
values | remove_group
stringclasses 10
values |
|---|---|---|---|---|---|---|
757c3957-9ef9-48a7-8fea-09db82338567
|
add
|
Modify the molecule Cc1c(Cl)cccc1N1C(=O)C(c2ccc([N+](=O)[O-])cc2)=C([NH+](C)CCO)C1=O by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1c(Cl)cccc1N1C(=O)C(c2ccc([N+](=O)[O-])cc2)=C([NH+](C)CCO)C1=O
|
Cc1c(Cl)cccc1N1C(=O)C(c2ccc([N+](=O)[O-])cc2)=C([NH+](C)CC(N)O)C1=O
|
amine
| null |
369ba7bd-d0a6-425b-8f47-1472734bec1b
|
add
|
Please add a hydroxyl to the molecule [NH3+]C(CC(=O)[O-])c1ccc(C2C[NH+]3CCC2CC3)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
[NH3+]C(CC(=O)[O-])c1ccc(C2C[NH+]3CCC2CC3)cc1.
|
[NH3+]C(CC(=O)[O-])c1ccc(C2C[NH+]3CCC2CC3)c(O)c1
|
hydroxyl
| null |
b3e1ba9e-bc8a-4b49-b8f6-9487915c4926
|
add
|
Modify the molecule CC(C(=O)NN)c1ccc(CN(C)CC(F)(F)F)cc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C(=O)NN)c1ccc(CN(C)CC(F)(F)F)cc1
|
CC(C(=O)NN)c1ccc(CN(C)CC(F)(F)F)cc1-c1ccccc1
|
benzene
| null |
ad22fb49-bf50-4220-8701-c2b4dabe10b7
|
add
|
Modify the molecule CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1C by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1C
|
CCc1nc2cccc(O)c2c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1C
|
hydroxyl
| null |
3b1da969-a5c3-405e-b137-e013b1c7a4ce
|
add
|
Please add a benzene ring to the molecule O=C(CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NCC1CCCO1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NCC1CCCO1.
|
O=C(CCC(c1ccccc1)N1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)NCC1CCCO1
|
benzene
| null |
f85e44f5-0041-4f9b-b2c9-24a3067f10ad
|
add
|
Modify the molecule CCC[NH2+]C(CCSC)c1ccc(C)s1 by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC[NH2+]C(CCSC)c1ccc(C)s1
|
CCC[NH2+]C(c1ccc(C)s1)C(CC=O)CSC
|
aldehyde
| null |
a3614006-b693-4db3-ae23-c60c0004cde3
|
add
|
Modify the molecule COCCn1cc(CCNC(=O)C2CCCC2)c2cccnc21 by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COCCn1cc(CCNC(=O)C2CCCC2)c2cccnc21
|
COCCn1cc(CCNC(=O)C2CCC(CC=O)C2)c2cccnc21
|
aldehyde
| null |
8fbb8944-f220-4102-be49-e5b5ceac0b0c
|
add
|
Please add a hydroxyl to the molecule COc1ccccc1C[NH+](C)C(C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccccc1C[NH+](C)C(C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C.
|
Oc1ccccc1C[NH+](C)C(C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C
|
hydroxyl
| null |
7289f7a7-f088-4894-9e6e-8fd412409ac7
|
add
|
Modify the molecule O=C(Cc1cccnc1)N1CC[NH+](Cc2cccc(OCc3ccc(-c4ccccc4)cc3)c2)CC1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(Cc1cccnc1)N1CC[NH+](Cc2cccc(OCc3ccc(-c4ccccc4)cc3)c2)CC1
|
O=C(Cc1cccnc1)N1CC[NH+](Cc2cccc(OCc3ccc(-c4ccccc4)cc3)c2)C(O)C1
|
hydroxyl
| null |
88e1962f-4866-42ee-85d8-e94aeba48543
|
add
|
Please add a hydroxyl to the molecule O=C(CCCn1cccc1)NCCNc1ncccn1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(CCCn1cccc1)NCCNc1ncccn1.
|
O=C(CCCn1cccc1)NCCNc1nccc(O)n1
|
hydroxyl
| null |
ab2cd0ca-81b3-40f8-8ea6-2baa20e0af59
|
add
|
Modify the molecule N#CC1(c2ccc(-c3cn4c(C(F)(F)F)nnc4cn3)cc2)CC1 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
N#CC1(c2ccc(-c3cn4c(C(F)(F)F)nnc4cn3)cc2)CC1
|
N#CC1(c2ccc(-c3cn4c(C(F)(F)F)nnc4cn3)cc2)CC1C(=O)O
|
carboxyl
| null |
af4dbc0b-6c68-4d62-8dff-9490940a075a
|
add
|
Please add a benzene ring to the molecule C[NH+](C)CCNC(=O)C1(C)COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(NCCC#N)n3)[nH]2)OC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH+](C)CCNC(=O)C1(C)COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(NCCC#N)n3)[nH]2)OC1.
|
C[NH+](CCNC(=O)C1(C)COC(c2nc(-c3ccc(F)cc3)c(-c3ccnc(NCCC#N)n3)[nH]2)OC1)Cc1ccccc1
|
benzene
| null |
8cd4f21e-885f-4620-af4b-83eacff2f6b0
|
add
|
Modify the molecule O=C(c1cccc(Br)c1Cl)C1CCCc2ccccc21 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(c1cccc(Br)c1Cl)C1CCCc2ccccc21
|
O=C(c1cccc(Br)c1Cl)C1CCC(c2ccccc2)c2ccccc21
|
benzene
| null |
39e9d6bf-f09b-427d-ac01-4a4f3f3c0dcc
|
add
|
Please add a aldehyde to the molecule O=Cc1ccc(F)c(N2CCNC2=O)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=Cc1ccc(F)c(N2CCNC2=O)c1.
|
O=CCC1CN(c2cc(C=O)ccc2F)C(=O)N1
|
aldehyde
| null |
39e2cccf-c8ed-4876-9824-30426837aabd
|
add
|
Modify the molecule CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC3CCCC3)cc2)cc1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC3CCCC3)cc2)cc1
|
CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC3(O)CCCC3)cc2)cc1
|
hydroxyl
| null |
b7115d8b-89ed-47ac-a97a-06ffc1353db2
|
add
|
Modify the molecule C#CC(CC)C(O)C(c1ccc(C)cc1)S(C)(=O)=O by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C#CC(CC)C(O)C(c1ccc(C)cc1)S(C)(=O)=O
|
C#CC(CC)C(O)C(c1ccc(C)cc1-c1ccccc1)S(C)(=O)=O
|
benzene
| null |
19b8af36-c304-4240-a2c0-94d4350360c0
|
add
|
Please add a carboxyl to the molecule CCS(=O)C1CCCC(NC(NCCCc2cccc(OC)c2)=[NH+]C)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCS(=O)C1CCCC(NC(NCCCc2cccc(OC)c2)=[NH+]C)C1.
|
CCS(=O)C1CCCC(NC(NCCCc2cccc(OCC(=O)O)c2)=[NH+]C)C1
|
carboxyl
| null |
314cfa79-4b4a-433f-8659-75f8da976711
|
add
|
Please add a hydroxyl to the molecule CCC(Sc1cccc(NC(=O)C(=Cc2c[nH]c3ccccc23)NC(=O)c2ccccc2)c1)C(=O)Nc1nc(-c2ccc(C)cc2)c(C)s1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(Sc1cccc(NC(=O)C(=Cc2c[nH]c3ccccc23)NC(=O)c2ccccc2)c1)C(=O)Nc1nc(-c2ccc(C)cc2)c(C)s1.
|
CCC(Sc1cccc(NC(=O)C(=Cc2c[nH]c3c(O)cccc23)NC(=O)c2ccccc2)c1)C(=O)Nc1nc(-c2ccc(C)cc2)c(C)s1
|
hydroxyl
| null |
fb6daf69-5351-4507-a861-fcb43d1738ea
|
add
|
Please add a benzene ring to the molecule COc1ccc(C(=O)NN=C(C)C23CC4CC(CC(C4)C2)C3)cc1OC.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(C(=O)NN=C(C)C23CC4CC(CC(C4)C2)C3)cc1OC.
|
COc1cc(C(=O)NN=C(C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccccc1
|
benzene
| null |
f1ff332f-e1d4-43d3-abc9-c7fb4ee5e113
|
add
|
Modify the molecule CCOC(=O)c1ccccc1NC(=O)COc1cccc2cccnc12 by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)c1ccccc1NC(=O)COc1cccc2cccnc12
|
CCOC(=O)c1ccc(CC=O)cc1NC(=O)COc1cccc2cccnc12
|
aldehyde
| null |
a250f6fe-ab39-4d01-a41b-2e92d5f09f88
|
add
|
Modify the molecule CC([NH3+])(c1nc2c([nH]1)CCCC2)C1CCCCC1 by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC([NH3+])(c1nc2c([nH]1)CCCC2)C1CCCCC1
|
CC([NH3+])(c1nc2c([nH]1)CC(CC=O)CC2)C1CCCCC1
|
aldehyde
| null |
538e10ed-eb37-45d6-b065-f94abbc24849
|
add
|
Please add a aldehyde to the molecule CSc1ccc(C(C#N)N2CCC(C(=O)[O-])CC2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CSc1ccc(C(C#N)N2CCC(C(=O)[O-])CC2)cc1.
|
CSc1ccc(C(C#N)N2CCC(C(=O)[O-])CC2CC=O)cc1
|
aldehyde
| null |
a23c7ef3-27a5-48f4-a279-a68a47b1ca29
|
add
|
Modify the molecule CC=C(C)COc1nccc(C)n1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC=C(C)COc1nccc(C)n1
|
CC=C(C)C(Oc1nccc(C)n1)c1ccccc1
|
benzene
| null |
7754fdb1-4a19-4a98-ba0e-6a111068ced2
|
add
|
Modify the molecule CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc3cc[nH]c3c1)n2CCCN1CCCC1=O by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc3cc[nH]c3c1)n2CCCN1CCCC1=O
|
CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccc3cc[nH]c3c1)n2C(CCN1CCCC1=O)c1ccccc1
|
benzene
| null |
e23adfc9-ea05-427b-9482-26a7bc59b429
|
add
|
Please add a carboxyl to the molecule Cc1nc(C2CCCN(C(=O)NC3CCOc4ccc(F)cc43)C2)sc1C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1nc(C2CCCN(C(=O)NC3CCOc4ccc(F)cc43)C2)sc1C.
|
Cc1nc(C2CCCN(C(=O)NC3CC(C(=O)O)Oc4ccc(F)cc43)C2)sc1C
|
carboxyl
| null |
d607a9f2-14a7-4410-a25e-a3400ef156b7
|
add
|
Modify the molecule CCCC1CCC(n2c(=O)[nH]c(Cl)c(C)c2=O)CC1 by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCC1CCC(n2c(=O)[nH]c(Cl)c(C)c2=O)CC1
|
Cc1c(Cl)[nH]c(=O)n(C2CCC(CC(C)CC=O)CC2)c1=O
|
aldehyde
| null |
04a078da-7dd7-4fce-9841-f22ae157ae07
|
add
|
Modify the molecule C=CC[NH2+]C1(C(=O)[O-])CCOC(C)(C)C1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=CC[NH2+]C1(C(=O)[O-])CCOC(C)(C)C1
|
CC1(C)CC([NH2+]CC=Cc2ccccc2)(C(=O)[O-])CCO1
|
benzene
| null |
f3736136-83e7-458a-ac32-9e44f807feec
|
add
|
Modify the molecule CC(C)CC(C)C1OC(C)(C)OCC1C by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)CC(C)C1OC(C)(C)OCC1C
|
CC(C)CC(C)C1OC(C)(C)OC(O)C1C
|
hydroxyl
| null |
447141f8-c08f-4522-8724-adb228b15211
|
add
|
Modify the molecule CC1CC[NH+](C(CN=C(N)NCCc2ccccn2)c2cccs2)CC1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1CC[NH+](C(CN=C(N)NCCc2ccccn2)c2cccs2)CC1
|
CC1CC[NH+](C(CN=C(N)NCCc2cc(O)ccn2)c2cccs2)CC1
|
hydroxyl
| null |
fdc14c2f-36ba-4d8b-bdba-b63818e7047b
|
add
|
Please add a carboxyl to the molecule O=C(COCCOCC(=O)NCCc1ccccc1)NCCc1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(COCCOCC(=O)NCCc1ccccc1)NCCc1ccccc1.
|
O=C(COCCOCC(=O)NCCc1ccccc1C(=O)O)NCCc1ccccc1
|
carboxyl
| null |
65afe786-5818-48a4-bc18-b77a8772b366
|
add
|
Modify the molecule [NH3+]C(CCNS(=O)(=O)c1ccc(N2CCOCC2)cc1)C(=O)[O-] by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
[NH3+]C(CCNS(=O)(=O)c1ccc(N2CCOCC2)cc1)C(=O)[O-]
|
[NH3+]C(CCNS(=O)(=O)c1ccc(N2CCOCC2c2ccccc2)cc1)C(=O)[O-]
|
benzene
| null |
d9b30d79-4e6c-49f3-86a9-99133b2d49af
|
add
|
Modify the molecule O=C(NC1CCN(C(=O)NCc2ccccn2)CC1)c1ccccc1C(F)(F)F by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(NC1CCN(C(=O)NCc2ccccn2)CC1)c1ccccc1C(F)(F)F
|
O=C(NC1CCN(C(=O)NCc2ccccn2)CC1)c1ccc(-c2ccccc2)cc1C(F)(F)F
|
benzene
| null |
124ae598-fa23-4c0a-9c38-8ded1153ff0e
|
add
|
Please add a carboxyl to the molecule COc1ccccc1N1CCN(C(=O)C(=O)Nc2cccc(O)c2)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccccc1N1CCN(C(=O)C(=O)Nc2cccc(O)c2)CC1.
|
COc1ccc(C(=O)O)cc1N1CCN(C(=O)C(=O)Nc2cccc(O)c2)CC1
|
carboxyl
| null |
d575b64e-85c5-41c0-93fc-8f90fc92024d
|
add
|
Modify the molecule [NH3+]CCCCC(NC(=O)CCC([NH3+])C(=O)NC1OC(n2ccc(=O)[nH]c2=O)C(O)C1O)C(=O)[O-] by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
[NH3+]CCCCC(NC(=O)CCC([NH3+])C(=O)NC1OC(n2ccc(=O)[nH]c2=O)C(O)C1O)C(=O)[O-]
|
NC1(O)C(O)C(NC(=O)C([NH3+])CCC(=O)NC(CCCC[NH3+])C(=O)[O-])OC1n1ccc(=O)[nH]c1=O
|
amine
| null |
8d0c7e97-5b90-455a-9ae8-b7cdc1f60797
|
add
|
Modify the molecule Cc1ccc(-c2cccc(COc3ccc4cnccc4c3)c2)cc1C(=O)[O-] by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(-c2cccc(COc3ccc4cnccc4c3)c2)cc1C(=O)[O-]
|
Cc1ccc(-c2cccc(COc3cc4ccncc4cc3O)c2)cc1C(=O)[O-]
|
hydroxyl
| null |
1e3425f3-c503-49c9-8e59-ac1f019649e0
|
add
|
Modify the molecule Cc1ccc(N2CCNc3ccc(C#N)cc32)cc1 by adding a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(N2CCNc3ccc(C#N)cc32)cc1
|
Cc1ccc(N2CCNc3ccc(C#N)cc32)cc1C#N
|
nitrile
| null |
2756a48e-3e0c-4dc7-9b15-d053e6f5e1b5
|
add
|
Please add a carboxyl to the molecule CC(C)C(C)NC(=O)C[NH2+]Cc1ccn(C)n1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)C(C)NC(=O)C[NH2+]Cc1ccn(C)n1.
|
CC(C)C(CC(=O)O)NC(=O)C[NH2+]Cc1ccn(C)n1
|
carboxyl
| null |
c78c8bc4-cb98-457a-8fe4-cf44a0e1caa5
|
add
|
Modify the molecule COc1ccc(C(C)NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)cc1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(C(C)NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)cc1
|
COc1ccc(C(C)NC(=O)c2cc(NS(=O)(=O)c3ccccc3ccc2Cl)cc1O
|
hydroxyl
| null |
45baf0b2-c611-4c77-b4d8-78f2cddac74b
|
add
|
Modify the molecule COCCOCCOC(=O)SC by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COCCOCCOC(=O)SC
|
COCC(O)OCCOC(=O)SC
|
hydroxyl
| null |
78967d4e-a379-4347-bbb0-b4609f840709
|
add
|
Please add a carboxyl to the molecule Cc1cc(C)c(P(=O)(c2cccc(-c3cccc(P(=O)(c4c(C)cc(C)cc4C)c4c(C)cc(C)cc4C)c3)c2)c2c(C)cc(C)cc2C)c(C)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(C)c(P(=O)(c2cccc(-c3cccc(P(=O)(c4c(C)cc(C)cc4C)c4c(C)cc(C)cc4C)c3)c2)c2c(C)cc(C)cc2C)c(C)c1.
|
Cc1cc(C)c(P(=O)(c2cccc(-c3cccc(P(=O)(c4c(C)cc(C)cc4C)c4c(C)cc(C)c(C(=O)O)c4C)c3)c2)c2c(C)cc(C)cc2C)c(C)c1
|
carboxyl
| null |
cd6a625e-4824-49e0-8b0f-67bba7250817
|
add
|
Please add a hydroxyl to the molecule C[NH+](C)CC=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3)nc3c2SCC3)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH+](C)CC=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3)nc3c2SCC3)c1.
|
C[NH+](CO)CC=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CC[NH+](C)CC4)cc3)nc3c2SCC3)c1
|
hydroxyl
| null |
2442a2a9-d789-49cc-9884-1240d642ac4a
|
add
|
Please add a benzene ring to the molecule COc1ccc(CN(C)CCl)c(C)c1C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(CN(C)CCl)c(C)c1C.
|
Cc1c(CN(C)CCl)ccc(OCc2ccccc2)c1C
|
benzene
| null |
b60d582a-3ae2-4896-89f4-824de69c1037
|
add
|
Please add a hydroxyl to the molecule CNC(=O)c1ccc(OC2CC2)cc1C#N.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CNC(=O)c1ccc(OC2CC2)cc1C#N.
|
CNC(=O)c1ccc(OC2(O)CC2)cc1C#N
|
hydroxyl
| null |
1cce48ac-5b6e-4d8b-a65b-cc503444eaeb
|
add
|
Modify the molecule CCNS(=O)(=O)CCNC(=O)c1ncccc1C#CCO by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCNS(=O)(=O)CCNC(=O)c1ncccc1C#CCO
|
CCNS(=O)(=O)C(O)CNC(=O)c1ncccc1C#CCO
|
hydroxyl
| null |
a0bc49c6-f69e-44fe-a335-189e00347a1d
|
add
|
Please add a nitrile to the molecule NC(c1c(Cl)ccc(Br)c1O)C(F)(F)F.
Please wrap the final SMILES in <smiles>...</smiles>.
|
NC(c1c(Cl)ccc(Br)c1O)C(F)(F)F.
|
N#Cc1cc(Br)c(O)c(C(N)C(F)(F)F)c1Cl
|
nitrile
| null |
e4615841-8797-4557-8f8f-c031339b5ea1
|
add
|
Modify the molecule CCC([NH3+])C(C)OCCc1ccccc1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC([NH3+])C(C)OCCc1ccccc1
|
CCC([NH3+])C(C)OCCc1ccccc1O
|
hydroxyl
| null |
3ae59814-7aea-4e76-a9a0-ca61265d57e9
|
add
|
Modify the molecule CC1CC(C)CC(C(O)c2ccc(F)cc2)C1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1CC(C)CC(C(O)c2ccc(F)cc2)C1
|
CC1CC(C)CC(C(O)c2ccc(F)cc2O)C1
|
hydroxyl
| null |
a59be0fe-b3c5-4660-9aaf-ed4994abbc41
|
add
|
Please add a benzene ring to the molecule CCCC(Cc1nn(CC)c2ccccc12)[NH2+]CC.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCC(Cc1nn(CC)c2ccccc12)[NH2+]CC.
|
CCCC(Cc1nn(CC)c2ccccc12)[NH2+]CCc1ccccc1
|
benzene
| null |
7d7c8873-a310-4708-8caf-97f08ff41167
|
add
|
Please add a hydroxyl to the molecule CC([NH2+]CC(C)(C)c1ccccc1)c1cc(F)ccc1O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC([NH2+]CC(C)(C)c1ccccc1)c1cc(F)ccc1O.
|
CC(C)(C[NH2+]C(CO)c1cc(F)ccc1O)c1ccccc1
|
hydroxyl
| null |
988933e2-6711-43fc-9052-d53796fd70cd
|
add
|
Modify the molecule O=C(NCCC[NH+]1CCOCC1)c1cc(Oc2ccc3c(c2)C(C(=O)[O-])CN3)ccn1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(NCCC[NH+]1CCOCC1)c1cc(Oc2ccc3c(c2)C(C(=O)[O-])CN3)ccn1
|
O=C(NC(CC[NH+]1CCOCC1)c1ccccc1c1cc(Oc2ccc3c(c2)C(C(=O)[O-])CN3)ccn1
|
benzene
| null |
98230ee7-1c90-4cb6-a0de-0d0ca694d659
|
add
|
Modify the molecule Cc1cc(NC(=O)NCCCOC(C)C)no1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(NC(=O)NCCCOC(C)C)no1
|
Cc1onc(NC(=O)NCCCOC(C)C)c1-c1ccccc1
|
benzene
| null |
1a6afd8d-acf9-45e9-bfca-e348e2c35785
|
add
|
Please add a nitrile to the molecule CSCC[NH2+]Cc1ccc(C(O)(c2ccc3c(c2)c(-c2cccc(Cl)c2)nc2nnnn23)c2cncn2C)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CSCC[NH2+]Cc1ccc(C(O)(c2ccc3c(c2)c(-c2cccc(Cl)c2)nc2nnnn23)c2cncn2C)cc1.
|
CSCC[NH2+]Cc1ccc(C(O)(c2ccc3c(c2)c(-c2cccc(Cl)c2)nc2nnnn23)c2cncn2C)c(C#N)c1
|
nitrile
| null |
3de6116f-49b3-4b2c-a477-877b4aa51aeb
|
add
|
Please add a aldehyde to the molecule C=C(NNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1)c1ccc(OC)c(OC)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=C(NNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1)c1ccc(OC)c(OC)c1.
|
C=C(NNC(=O)CN(c1ccc(C)c(CC=O)c1)S(=O)(=O)c1ccccc1)c1ccc(OC)c(OC)c1
|
aldehyde
| null |
137b6865-4fda-458f-a18a-984a58a3afd5
|
add
|
Modify the molecule Cn1c2cc(C#N)ccc2c2cccc(C#N)c21 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cn1c2cc(C#N)ccc2c2cccc(C#N)c21
|
N#Cc1ccc2c3cccc(C#N)c3n(CC(=O)O)c2c1
|
carboxyl
| null |
b81c7c11-a41a-451b-94d7-1fae65f072f4
|
add
|
Please add a hydroxyl to the molecule CCCC[NH+](CCCC)CCCOc1cccc(C[NH3+])c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCC[NH+](CCCC)CCCOc1cccc(C[NH3+])c1.
|
CCCC[NH+](CCCOc1cccc(C[NH3+])c1)CC(O)CC
|
hydroxyl
| null |
08d55b09-5504-4562-aeda-08cb39fe7dde
|
add
|
Please add a hydroxyl to the molecule O=C(NCC1(F)CC[NH+](CCC2CCC2)CC1)c1cc(Cl)cc(Cl)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(NCC1(F)CC[NH+](CCC2CCC2)CC1)c1cc(Cl)cc(Cl)c1.
|
O=C(NCC1(F)CC[NH+](CCC2CCC2)CC1)c1cc(Cl)c(O)c(Cl)c1
|
hydroxyl
| null |
23fdb8c8-256e-4441-9626-08846518b797
|
add
|
Please add a aldehyde to the molecule CCCCCC(F)(F)C=CC1C(OC(C)=O)CC2OC(c3nc(C(=O)[O-])cs3)CCC21.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCCC(F)(F)C=CC1C(OC(C)=O)CC2OC(c3nc(C(=O)[O-])cs3)CCC21.
|
CCCCCC(F)(F)C=CC1C(OC(=O)CCC=O)CC2OC(c3nc(C(=O)[O-])cs3)CCC21
|
aldehyde
| null |
381ddaa5-b3f4-4086-8714-8c4177be3cce
|
add
|
Please add a benzene ring to the molecule CCOc1ccc2nc(NC(=O)C(Cc3ccccc3)n3cccc3)sc2c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOc1ccc2nc(NC(=O)C(Cc3ccccc3)n3cccc3)sc2c1.
|
CCOc1ccc2nc(NC(=O)C(Cc3cccc(-c4ccccc4)c3)n3cccc3)sc2c1
|
benzene
| null |
25aec7b8-0c8f-453e-8890-c614ee283ecf
|
add
|
Please add a aldehyde to the molecule CC1CC1C1(O)C2CCCC21.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1CC1C1(O)C2CCCC21.
|
CC1CC1C1(O)C2CCC(CC=O)C21
|
aldehyde
| null |
55f8c940-b775-420b-92db-e2c00c1a725e
|
add
|
Modify the molecule Cc1cc(O)ccc1NC(=O)C1([NH3+])CCCCC1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(O)ccc1NC(=O)C1([NH3+])CCCCC1
|
Cc1cc(O)ccc1NC(=O)C1([NH3+])CCCCC1c1ccccc1
|
benzene
| null |
20497517-edaf-4dda-9a8a-3ceb2211684c
|
add
|
Modify the molecule CCCN(CCC)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)OC)c1 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCN(CCC)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)OC)c1
|
CCCN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)OC)c1)C(CC)C(=O)O
|
carboxyl
| null |
37404a76-48cc-4c0d-a1ba-bd92b57b62d1
|
add
|
Modify the molecule CN(C)c1ccc(Cn2nccc2NC(=O)CCc2ncc(-c3ccccc3F)o2)cc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN(C)c1ccc(Cn2nccc2NC(=O)CCc2ncc(-c3ccccc3F)o2)cc1
|
CN(C)c1ccc(Cn2nccc2NC(=O)CCc2ncc(-c3ccccc3F)o2)cc1-c1ccccc1
|
benzene
| null |
7dd7625a-854b-4e05-839f-ba1f55259ff1
|
add
|
Please add a benzene ring to the molecule CC1CN(C(C[NH3+])c2cc(F)ccc2Br)CCCO1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1CN(C(C[NH3+])c2cc(F)ccc2Br)CCCO1.
|
CC1(c2ccccc2)CN(C(C[NH3+])c2cc(F)ccc2Br)CCCO1
|
benzene
| null |
e68452d3-a10d-44ab-9a57-1ba6ec8a64e9
|
add
|
Please add a carboxyl to the molecule CC(C)CC(O)(Cc1ccc(Br)s1)CC(C)C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)CC(O)(Cc1ccc(Br)s1)CC(C)C.
|
CC(C)CC(O)(Cc1ccc(Br)s1)CC(C)(C)C(=O)O
|
carboxyl
| null |
4789c396-3681-48db-95d6-89f299cdb929
|
add
|
Modify the molecule COCCCOc1cc(CC(CC([NH3+])C(O)CC(C(=O)NCC2(C(N)=O)CCCCC2)C(C)C)C(C)C)ccc1OC by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COCCCOc1cc(CC(CC([NH3+])C(O)CC(C(=O)NCC2(C(N)=O)CCCCC2)C(C)C)C(C)C)ccc1OC
|
COCCCOc1cc(CC(CC([NH3+])(c2ccccc2)C(O)CC(C(=O)NCC2(C(N)=O)CCCCC2)C(C)C)C(C)C)ccc1OC
|
benzene
| null |
7889c7f6-cdbc-4d9a-a382-50375c571470
|
add
|
Please add a benzene ring to the molecule O=C(C1CC[NH2+]CC1)N1CC[NH+](C2c3ccc(Cl)cc3CCc3cccnc32)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(C1CC[NH2+]CC1)N1CC[NH+](C2c3ccc(Cl)cc3CCc3cccnc32)CC1.
|
O=C(C1CC[NH2+]CC1)N1CC[NH+](C2c3ccc(Cl)cc3CCc3cc(-c4ccccc4)cnc32)CC1
|
benzene
| null |
01dc8fe1-8677-4963-b7cb-c763c5f0d82b
|
add
|
Modify the molecule Cc1cccc(C(=O)NC(C(=O)N2CCC(C(=O)N3CCCC3)CC2)C(C)C)c1 by adding a thiol.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cccc(C(=O)NC(C(=O)N2CCC(C(=O)N3CCCC3)CC2)C(C)C)c1
|
Cc1cccc(C(=O)NC(C(=O)N2CCC(C(=O)N3CCCC3)C(S)C2)C(C)C)c1
|
thiol
| null |
96d86702-38cb-4b21-9abf-2b2a1a9fbf36
|
add
|
Please add a benzene ring to the molecule COC(=O)c1ccc(OCCCS(=O)C(C)C(=O)Nc2cc(C)ccc2C)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)c1ccc(OCCCS(=O)C(C)C(=O)Nc2cc(C)ccc2C)cc1.
|
COC(=O)c1ccc(OCCCS(=O)C(C)C(=O)Nc2cc(C)ccc2C)c(-c2ccccc2)c1
|
benzene
| null |
9f92bfa3-bf42-4925-a55b-33bf4ca07ee6
|
add
|
Modify the molecule CC1CSCCN1C(=O)C1CC2CCC1[NH2+]2 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1CSCCN1C(=O)C1CC2CCC1[NH2+]2
|
CC1C(c2ccccc2)SCCN1C(=O)C1CC2CCC1[NH2+]2
|
benzene
| null |
d11f3ef8-2f15-4dfc-a12f-79e5e43f26c8
|
add
|
Modify the molecule CCCOc1cc(NCC2(C(C)C)CC2)ncn1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCOc1cc(NCC2(C(C)C)CC2)ncn1
|
CCCOc1cc(NC(O)C2(C(C)C)CC2)ncn1
|
hydroxyl
| null |
d7cbf120-612f-429e-b75d-05a591e95eb0
|
add
|
Please add a benzene ring to the molecule CCC(C)NC(=O)C(CC)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(C)NC(=O)C(CC)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccccc1.
|
CCC(C)NC(=O)C(CC)N(Cc1ccc(Cl)cc1)C(=O)CCSc1cccc(-c2ccccc2)c1
|
benzene
| null |
fae9e24d-6fcf-45c1-a483-d11708c05a04
|
add
|
Modify the molecule CN(C)c1ccc(C(CNC(=O)Nc2ccc(Cl)c(Cl)c2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 by adding a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN(C)c1ccc(C(CNC(=O)Nc2ccc(Cl)c(Cl)c2)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1
|
CN(C)c1ccc(C(CNC(=O)Nc2ccc(Cl)c(Cl)c2)[NH+]2CCN(c3ccc(F)cc3)CC2C#N)cc1
|
nitrile
| null |
d7ac1fae-6250-4ca9-a983-f4232f5de5f8
|
add
|
Modify the molecule Cc1cc(NC(=O)CN2CCC([NH+](C)Cc3noc(C)n3)C2)on1 by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(NC(=O)CN2CCC([NH+](C)Cc3noc(C)n3)C2)on1
|
Cc1nc(C[NH+](C)C2CCN(CC(=O)Nc3cc(CCC=O)no3)C2)no1
|
aldehyde
| null |
e4f2f674-b484-4da0-832c-31adb1378022
|
add
|
Modify the molecule COC(CNC(=O)C(=O)Nc1ccccc1F)c1ccsc1 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(CNC(=O)C(=O)Nc1ccccc1F)c1ccsc1
|
COC(CNC(=O)C(=O)Nc1ccc(C(=O)O)cc1F)c1ccsc1
|
carboxyl
| null |
43c5ebb0-ed79-439a-81f6-d0384bc30ded
|
add
|
Modify the molecule NNC(CCC1CCCO1)CC1CC1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
NNC(CCC1CCCO1)CC1CC1
|
NNC(CCC1CCCO1)(CC1CC1)c1ccccc1
|
benzene
| null |
32f14020-dc60-4f0f-911f-8d62d87f3fce
|
add
|
Please add a hydroxyl to the molecule CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(C)s1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC[NH+](CC)Cc1ccccc1CNC(=O)c1ccc(C)s1.
|
CC[NH+](CC)Cc1ccccc1C(O)NC(=O)c1ccc(C)s1
|
hydroxyl
| null |
f2c8a0bd-7b6e-4d41-8b44-bbe9544042f2
|
add
|
Please add a carboxyl to the molecule CN(C)NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN(C)NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1.
|
CN(CC(=O)O)NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1
|
carboxyl
| null |
591044fb-64cc-40d5-b457-ec4e06b53927
|
add
|
Modify the molecule O=C(CC1(c2ccccc2)CCN(C(=O)[O-])CC1)NCc1ccc(C(F)(F)F)cc1 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(CC1(c2ccccc2)CCN(C(=O)[O-])CC1)NCc1ccc(C(F)(F)F)cc1
|
O=C(CC1(c2ccccc2)CCN(C(=O)[O-])C(C(=O)O)C1)NCc1ccc(C(F)(F)F)cc1
|
carboxyl
| null |
0450a9fd-2b2e-4083-8e57-5bc9b4b49e8a
|
add
|
Modify the molecule CCC(=O)C1CC(c2ccccc2)C[NH+]1CC by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(=O)C1CC(c2ccccc2)C[NH+]1CC
|
CCC(=O)C1CC(c2cccc(C(=O)O)c2)C[NH+]1CC
|
carboxyl
| null |
858c44c0-fc14-45aa-b021-ed02cc97c1b5
|
add
|
Please add a hydroxyl to the molecule COc1ccccc1C[NH2+]Cc1ccc(NC(=O)Nc2cnc(C#N)cn2)c(OC)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccccc1C[NH2+]Cc1ccc(NC(=O)Nc2cnc(C#N)cn2)c(OC)c1.
|
COc1ccc(O)cc1C[NH2+]Cc1ccc(NC(=O)Nc2cnc(C#N)cn2)c(OC)c1
|
hydroxyl
| null |
03a1c6ab-00a6-4919-a1fe-bc079eb8de68
|
add
|
Please add a amine to the molecule Cc1c(Br)cccc1C(O)C(C[NH3+])c1ccccc1F.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1c(Br)cccc1C(O)C(C[NH3+])c1ccccc1F.
|
Cc1c(Br)cccc1C(O)C(C[NH3+])c1c(N)cccc1F
|
amine
| null |
793cfb2a-58ce-4b2c-9f7a-0408730c2df1
|
add
|
Please add a hydroxyl to the molecule CCCc1cc(C2CC3NC(N)=[NH+]C3C2C)ccc1F.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCc1cc(C2CC3NC(N)=[NH+]C3C2C)ccc1F.
|
CCCc1cc(C2CC3NC(N)=[NH+]C3C2(C)O)ccc1F
|
hydroxyl
| null |
cdaa877f-f1fa-4873-9edc-45a72253732e
|
add
|
Modify the molecule COc1cc(OC)cc(C(=O)NCCc2nc(-c3ccc(O)cc3)cs2)c1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1cc(OC)cc(C(=O)NCCc2nc(-c3ccc(O)cc3)cs2)c1
|
COc1cc(OCO)cc(C(=O)NCCc2nc(-c3ccc(O)cc3)cs2)c1
|
hydroxyl
| null |
0368df37-fddd-4ce5-b09b-3d37167c56a3
|
add
|
Please add a hydroxyl to the molecule O=C(CCCCC(=O)NCCC[NH+]1CCN(C2=[NH+]c3cc(Cl)ccc3Nc3ccccc32)CC1)NCCC[NH+]1CCN(C2=[NH+]c3cc(Cl)ccc3Nc3ccccc32)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(CCCCC(=O)NCCC[NH+]1CCN(C2=[NH+]c3cc(Cl)ccc3Nc3ccccc32)CC1)NCCC[NH+]1CCN(C2=[NH+]c3cc(Cl)ccc3Nc3ccccc32)CC1.
|
O=C(CCCCC(=O)NCCC[NH+]1CCN(C2=[NH+]c3cc(Cl)ccc3Nc3c(O)cccc32)CC1)NCCC[NH+]1CCN(C2=[NH+]c3cc(Cl)ccc3Nc3ccccc32)CC1
|
hydroxyl
| null |
dbc86c32-56f7-45ca-a7a9-dcfa16e7c5f5
|
add
|
Modify the molecule Cc1ccc(NC(=O)c2csc(-c3ccc(N4CCOCC4)nc3)n2)c(Cl)c1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(NC(=O)c2csc(-c3ccc(N4CCOCC4)nc3)n2)c(Cl)c1
|
Cc1ccc(NC(=O)c2csc(-c3ccc(N4CCOC(O)C4)nc3)n2)c(Cl)c1
|
hydroxyl
| null |
c0640e36-206f-4875-b371-3e5555680d00
|
add
|
Modify the molecule CC(C)(c1ccc(F)cc1)C(O)Cc1ccc(Br)cn1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(c1ccc(F)cc1)C(O)Cc1ccc(Br)cn1
|
CC(C)(c1ccc(F)cc1)C(O)Cc1ncc(Br)cc1O
|
hydroxyl
| null |
4e823174-b145-45e1-93b1-9e309409e0e0
|
add
|
Please add a benzene ring to the molecule N#CC1(CO)CCCCCC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
N#CC1(CO)CCCCCC1.
|
N#CC1(CO)CCCCC(c2ccccc2)C1
|
benzene
| null |
b42f5a9a-7fd8-427a-ac0e-83666caec2f3
|
add
|
Please add a amine to the molecule CN1C(=O)C(CCO)c2cccc(F)c21.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN1C(=O)C(CCO)c2cccc(F)c21.
|
CN1C(=O)C(CCO)c2ccc(N)c(F)c21
|
amine
| null |
033ebfaf-6c0b-46c9-b618-5d8475fadddc
|
add
|
Modify the molecule CCCCCCCC[Si](F)(F)F by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCCCCC[Si](F)(F)F
|
CCC(CCCCC[Si](F)(F)F)C(=O)O
|
carboxyl
| null |
03e713f2-4eb0-4c6c-a052-23e69364263a
|
add
|
Please add a carboxyl to the molecule O=C([O-])c1ccc2c(c1)CCN2CCOCC(F)(F)F.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C([O-])c1ccc2c(c1)CCN2CCOCC(F)(F)F.
|
O=C([O-])c1cc2c(c(C(=O)O)c1)N(CCOCC(F)(F)F)CC2
|
carboxyl
| null |
92575826-eb5e-4a7d-9cd7-0e1721a23590
|
add
|
Modify the molecule O=C(Cn1nc(C(=O)[O-])c2ccccc2c1=O)Nc1ccc(Oc2ccccc2)cc1 by adding a thiol.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(Cn1nc(C(=O)[O-])c2ccccc2c1=O)Nc1ccc(Oc2ccccc2)cc1
|
O=C(Cn1nc(C(=O)[O-])c2ccccc2c1=O)Nc1ccc(Oc2ccccc2)cc1S
|
thiol
| null |
8887b49c-d225-4e8c-8d92-ed1707a565d6
|
add
|
Please add a carboxyl to the molecule Cn1cccc1CN(C(=O)CN(C(=O)NC(C)(C)C)C1CCCCC1)C1CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cn1cccc1CN(C(=O)CN(C(=O)NC(C)(C)C)C1CCCCC1)C1CC1.
|
Cn1cccc1CN(C(=O)CN(C(=O)NC(C)(C)CC(=O)O)C1CCCCC1)C1CC1
|
carboxyl
| null |
f4eaee75-b18b-4ce5-b8df-cdbdc1f4e1fc
|
add
|
Please add a hydroxyl to the molecule COCC(CNc1ccc(C(=O)N(C)C)cn1)OC.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COCC(CNc1ccc(C(=O)N(C)C)cn1)OC.
|
COCC(CNc1ccc(C(=O)N(C)CO)cn1)OC
|
hydroxyl
| null |
a8d11116-e8b9-4516-8a5f-f180b1c21300
|
add
|
Please add a hydroxyl to the molecule COc1ccc(OC(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)[nH+]3)CC2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(OC(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)[nH+]3)CC2)cc1.
|
COc1ccc(OC(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)[nH+]3)CC2O)cc1
|
hydroxyl
| null |
be3bee14-4cae-4c7d-8018-4e9e57d039a2
|
add
|
Please add a benzene ring to the molecule COc1ccc(C2Nc3ccccc3C(=O)N2NS(C)(=O)=O)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(C2Nc3ccccc3C(=O)N2NS(C)(=O)=O)cc1.
|
COc1ccc(C2(c3ccccc3)Nc3ccccc3C(=O)N2NS(C)(=O)=O)cc1
|
benzene
| null |
8a56756f-08f7-49a3-8f1e-6b0a76c1dc3e
|
add
|
Modify the molecule CCCNc1ccc(C[NH+](CC)CC(C)CC)cn1 by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCNc1ccc(C[NH+](CC)CC(C)CC)cn1
|
CCCNc1ccc(C[NH+](CC)C(N)C(C)CC)cn1
|
amine
| null |
acb9443d-2e9f-4f9d-895b-1ca63ce2b1de
|
add
|
Please add a benzene ring to the molecule CC(C)(C)c1ccccc1C(=O)NCC(O)C[NH+]1CCOCC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(C)c1ccccc1C(=O)NCC(O)C[NH+]1CCOCC1.
|
CC(C)(C)c1ccccc1C(=O)NCC(O)C[NH+]1CCOC(c2ccccc2)C1
|
benzene
| null |
b3ab4d9a-1461-4183-90cc-bfbf57b6eceb
|
add
|
Modify the molecule CCOC(=O)C(C)(C)CN(c1nc(Cl)ncc1[N+](=O)[O-])C1CCCC1 by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)C(C)(C)CN(c1nc(Cl)ncc1[N+](=O)[O-])C1CCCC1
|
CCOC(=O)C(C)(C)CN(c1nc(Cl)nc(CC=O)c1[N+](=O)[O-])C1CCCC1
|
aldehyde
| null |
2d99b53f-da11-4e9e-8c84-a766597c0836
|
add
|
Modify the molecule CCN(CC)S(=O)(=O)c1cc(NC(=S)NCCCSC)ccc1Cl by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCN(CC)S(=O)(=O)c1cc(NC(=S)NCCCSC)ccc1Cl
|
CCN(CC)S(=O)(=O)c1cc(NC(=S)NCCCSC)c(-c2ccccc2)cc1Cl
|
benzene
| null |
41262ccc-db86-42e7-ac72-9038338d1f91
|
add
|
Please add a carboxyl to the molecule CCON=Cc1cccc(CCOc2cc(CC)cc(OS(=O)(=O)c3ccccc3Cl)c2)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCON=Cc1cccc(CCOc2cc(CC)cc(OS(=O)(=O)c3ccccc3Cl)c2)c1.
|
CCON=C(C(=O)O)c1cccc(CCOc2cc(CC)cc(OS(=O)(=O)c3ccccc3Cl)c2)c1
|
carboxyl
| null |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.