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 |
|---|---|---|---|---|---|---|
c135df84-11ea-443f-8b09-432412e6a42e
|
add
|
Modify the molecule O=C(NC1CCOC1C1CC1)N1C2CCC1COC2 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(NC1CCOC1C1CC1)N1C2CCC1COC2
|
O=C(NC1CCOC1C1(c2ccccc2)CC1)N1C2CCC1COC2
|
benzene
| null |
be8d35c9-b582-4b48-a749-dc1720695d5d
|
add
|
Modify the molecule Cc1[nH+]cc(-c2nc(NC3CCN(S(=O)(=O)C4CCN(C(=O)OCc5ccccc5)CC4)CC3)ncc2F)n1C(C)C by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1[nH+]cc(-c2nc(NC3CCN(S(=O)(=O)C4CCN(C(=O)OCc5ccccc5)CC4)CC3)ncc2F)n1C(C)C
|
Cc1[nH+]cc(-c2nc(NC3CCN(S(=O)(=O)C4CCN(C(=O)OC(O)c5ccccc5)CC4)CC3)ncc2F)n1C(C)C
|
hydroxyl
| null |
fd187cff-821a-4ede-8c3d-6e69fe1d04e6
|
add
|
Modify the molecule CCCCN(CCCC)C(=S)Nc1ccccn1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCN(CCCC)C(=S)Nc1ccccn1
|
CCCCN(C(=S)Nc1ccccn1)C(O)CCC
|
hydroxyl
| null |
7f1ad3c1-d64b-43d7-860b-308eeb765e62
|
add
|
Please add a hydroxyl to the molecule Cc1ccc(C[NH2+]CC(=O)NCC#N)cn1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(C[NH2+]CC(=O)NCC#N)cn1.
|
Cc1cc(O)c(C[NH2+]CC(=O)NCC#N)cn1
|
hydroxyl
| null |
43850857-7b74-4f2b-85f2-14a99d6bbf02
|
add
|
Modify the molecule Cc1ccccc1C(C(=O)[O-])[NH+](C)Cc1cc(-c2ccncc2)no1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccccc1C(C(=O)[O-])[NH+](C)Cc1cc(-c2ccncc2)no1
|
Cc1ccccc1C(C(=O)[O-])[NH+](CO)Cc1cc(-c2ccncc2)no1
|
hydroxyl
| null |
ab975622-b0ca-498c-962a-99d45519aab1
|
add
|
Modify the molecule CN(C)[Si](C)(C)CC[SiH2]c1ccccc1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN(C)[Si](C)(C)CC[SiH2]c1ccccc1
|
CN(C)[Si](C)(CO)CC[SiH2]c1ccccc1
|
hydroxyl
| null |
e5d5ae2f-b628-4174-bf38-c2eb5fbed2c6
|
add
|
Please add a benzene ring to the molecule Cc1cc(OC(=O)CCNC(=O)c2cccs2)c(C(C)C)cc1Cl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(OC(=O)CCNC(=O)c2cccs2)c(C(C)C)cc1Cl.
|
CC(C)c1cc(Cl)c(Cc2ccccc2)cc1OC(=O)CCNC(=O)c1cccs1
|
benzene
| null |
86c9a4f5-52a4-4885-b3ca-b6bc9e9f2e71
|
add
|
Modify the molecule [NH3+]Cc1ccccc1OCCCS(=O)c1ccccc1F by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
[NH3+]Cc1ccccc1OCCCS(=O)c1ccccc1F
|
[NH3+]Cc1c(OCCCS(=O)c2ccccc2F)cccc1-c1ccccc1
|
benzene
| null |
024baa5e-3769-4c9f-a354-db09688c8eb0
|
add
|
Modify the molecule O=c1c(=Cc2ccccc2OCc2ccccc2)sc2nc(-c3ccccc3Cl)nn12 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=c1c(=Cc2ccccc2OCc2ccccc2)sc2nc(-c3ccccc3Cl)nn12
|
O=c1c(=C(O)c2ccccc2OCc2ccccc2)sc2nc(-c3ccccc3Cl)nn12
|
hydroxyl
| null |
c3864c2d-417d-45b3-8e47-74ce345e477f
|
add
|
Modify the molecule CCOP(=O)(COCOn1cnc2c(N)ncnc21)OCC by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOP(=O)(COCOn1cnc2c(N)ncnc21)OCC
|
CCOP(=O)(COCOn1cnc2c(N)ncnc21)OCCc1ccccc1
|
benzene
| null |
4ea2df38-b3a7-4ad9-963d-13b3c9cdf780
|
add
|
Modify the molecule CSC1CCCC1Nc1c(C)cccc1[N+](=O)[O-] by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CSC1CCCC1Nc1c(C)cccc1[N+](=O)[O-]
|
CSC1CC(c2ccccc2)CC1Nc1c(C)cccc1[N+](=O)[O-]
|
benzene
| null |
76c9ecde-1c40-43ba-a9bc-a56a99157d0e
|
add
|
Modify the molecule C=CC1CCCC=CCC(C)C1 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=CC1CCCC=CCC(C)C1
|
C=CC1CCCC=C(C(=O)O)CC(C)C1
|
carboxyl
| null |
dc08ef2f-a5be-43f8-b39c-96d5aea2146c
|
add
|
Modify the molecule CC1(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)CCS(=O)(=O)C1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)CCS(=O)(=O)C1
|
CC1(NC(=O)c2ccc(NC(=O)c3ccco3)cc2-c2ccccc2)CCS(=O)(=O)C1
|
benzene
| null |
e514de3c-6c3f-484b-a8bb-41f87e7ac4bc
|
add
|
Please add a hydroxyl to the molecule CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NCc1ccc(-n2cnc3ccccc32)nc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NCc1ccc(-n2cnc3ccccc32)nc1.
|
CS(=O)(=O)Cc1nc2c(O)cccc2n1CC(=O)NCc1ccc(-n2cnc3ccccc32)nc1
|
hydroxyl
| null |
a34b17c7-8e5d-4701-a1d2-ef993df85ea1
|
add
|
Modify the molecule CSc1ncc(-c2ccc3ncc4c(=O)n(COP(=O)([O-])[O-])c(=O)n(-c5ccc(C(C)(C)C#N)cc5)c4c3n2)cn1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CSc1ncc(-c2ccc3ncc4c(=O)n(COP(=O)([O-])[O-])c(=O)n(-c5ccc(C(C)(C)C#N)cc5)c4c3n2)cn1
|
CSc1ncc(-c2cc(O)c3ncc4c(=O)n(COP(=O)([O-])[O-])c(=O)n(-c5ccc(C(C)(C)C#N)cc5)c4c3n2)cn1
|
hydroxyl
| null |
fbb6afbd-f0ed-41e4-bbde-77985c711db3
|
add
|
Modify the molecule CCOC(=O)C1(C)CCCCC1(C)C by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)C1(C)CCCCC1(C)C
|
CC(CC=O)OC(=O)C1(C)CCCCC1(C)C
|
aldehyde
| null |
05046298-b060-4a56-a0ae-408c8e79433f
|
add
|
Modify the molecule CC1CCCC2CC(=O)C3(C)OC12C1C(=O)N(c2ccccc2)C(=O)C13 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1CCCC2CC(=O)C3(C)OC12C1C(=O)N(c2ccccc2)C(=O)C13
|
CC1CCC(c2ccccc2)C2CC(=O)C3(C)OC12C1C(=O)N(c2ccccc2)C(=O)C13
|
benzene
| null |
ccb85d45-f283-42c6-9e51-2de7624b6640
|
add
|
Please add a benzene ring to the molecule COc1ccc(C(=C[NH+](C)C)C(=O)c2ccc(OC)cc2OB(F)F)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(C(=C[NH+](C)C)C(=O)c2ccc(OC)cc2OB(F)F)cc1.
|
COc1ccc(C(=C[NH+](C)C)C(=O)c2ccc(OC)c(-c3ccccc3)c2OB(F)F)cc1
|
benzene
| null |
d6545733-1851-47e7-89d1-b187a5776383
|
add
|
Modify the molecule O=Cc1c2c(nn1-c1ccccc1)CCOC2 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=Cc1c2c(nn1-c1ccccc1)CCOC2
|
O=Cc1c2c(nn1-c1ccccc1)CC(c1ccccc1)OC2
|
benzene
| null |
405bed3a-071b-4b22-9c31-8b20b2d28915
|
add
|
Modify the molecule CC(C)(C)OC(=O)C1CCC2CCC(CO)C([NH3+])C(=O)N21 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(C)OC(=O)C1CCC2CCC(CO)C([NH3+])C(=O)N21
|
CC(C)(C)OC(=O)C1CCC2CCC(O)(CO)C([NH3+])C(=O)N21
|
hydroxyl
| null |
f4ca69ca-d0db-4557-88d3-2cdab0c64d75
|
add
|
Modify the molecule CCCC1(C(=O)[O-])CCN(C(=O)C(C)(C)CC)CC1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCC1(C(=O)[O-])CCN(C(=O)C(C)(C)CC)CC1
|
CCCC1(C(=O)[O-])CCN(C(=O)C(C)(CC)CO)CC1
|
hydroxyl
| null |
977c1a9c-c48f-4624-be5e-b6540a708b50
|
add
|
Modify the molecule Cc1cccc2c(=O)cc(C(=O)Nc3ccc(F)cc3)oc12 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cccc2c(=O)cc(C(=O)Nc3ccc(F)cc3)oc12
|
Cc1cccc2c(=O)c(C(=O)O)c(C(=O)Nc3ccc(F)cc3)oc12
|
carboxyl
| null |
9bd8c4a4-2240-4a61-875e-e32052a0c785
|
add
|
Please add a benzene ring to the molecule Cc1cc(C)c(NC(=O)C2Nc3cc(F)ccc3S(=O)(=O)N2)c(C)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(C)c(NC(=O)C2Nc3cc(F)ccc3S(=O)(=O)N2)c(C)c1.
|
Cc1cc(C)c(NC(=O)C2(c3ccccc3)Nc3cc(F)ccc3S(=O)(=O)N2)c(C)c1
|
benzene
| null |
e8fbff3c-9262-458e-9577-dd949e3afd33
|
add
|
Modify the molecule CC(C)[NH2+]CC1CCCN1CC1CCCCC1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)[NH2+]CC1CCCN1CC1CCCCC1
|
CC(C)[NH2+]CC1CCCN1CC1CCCC(O)C1
|
hydroxyl
| null |
50f9ec8b-38cd-4eb9-94b7-e07f6c13406c
|
add
|
Modify the molecule CC(NS(=O)(=O)Cc1noc2ccccc12)c1cnn(C)c1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(NS(=O)(=O)Cc1noc2ccccc12)c1cnn(C)c1
|
CC(NS(=O)(=O)C(O)c1noc2ccccc12)c1cnn(C)c1
|
hydroxyl
| null |
242a49b5-d8dd-4cb6-accb-cc46a6f6a301
|
add
|
Please add a aldehyde to the molecule CCn1nc(C)c(Cl)c1CC(O)C[NH+](C)C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCn1nc(C)c(Cl)c1CC(O)C[NH+](C)C.
|
CCn1nc(C)c(Cl)c1C(CC=O)C(O)C[NH+](C)C
|
aldehyde
| null |
7da26799-6d55-492c-b384-eb4b15eae52b
|
add
|
Modify the molecule O=C(Nc1nc(-c2cc(O)ccc2O)cs1)c1c(F)cccc1F by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(Nc1nc(-c2cc(O)ccc2O)cs1)c1c(F)cccc1F
|
O=C(Nc1nc(-c2cc(O)cc(O)c2O)cs1)c1c(F)cccc1F
|
hydroxyl
| null |
2adb5d08-321d-4b7e-a98a-b38e1937e1a1
|
add
|
Modify the molecule COc1nc(Nc2ccc(C#N)c(OCC=C(C)C)c2)nc(OCC[NH+]2CCN(C)CC2)n1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1nc(Nc2ccc(C#N)c(OCC=C(C)C)c2)nc(OCC[NH+]2CCN(C)CC2)n1
|
COc1nc(Nc2ccc(C#N)c(OCC=C(C)C)c2O)nc(OCC[NH+]2CCN(C)CC2)n1
|
hydroxyl
| null |
a4c12fcc-0678-49d5-80b5-1fa11907eb41
|
add
|
Modify the molecule CCc1nncn1CCNC(NCCCn1c(C)nc2ccccc21)=[NH+]Cc1ccco1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1nncn1CCNC(NCCCn1c(C)nc2ccccc21)=[NH+]Cc1ccco1
|
Cc1nc2ccccc2n1CCCNC(NCCn1cnnc1CCc1ccccc1)=[NH+]Cc1ccco1
|
benzene
| null |
6a1965f3-28e3-43e1-8869-525125201b2c
|
add
|
Please add a benzene ring to the molecule COc1ccc2c(c1)CCn1c-2cc(OCc2cnc(Oc3ccc(F)cc3)c(F)c2)nc1=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc2c(c1)CCn1c-2cc(OCc2cnc(Oc3ccc(F)cc3)c(F)c2)nc1=O.
|
COc1ccc2c(c1-c1ccccc1)CCn1c-2cc(OCc2cnc(Oc3ccc(F)cc3)c(F)c2)nc1=O
|
benzene
| null |
a9ce1821-c7f3-4252-944b-86544f0051d2
|
add
|
Modify the molecule Cc1nn(C)c(N2CC(C)C(C)C2)c1CC[NH3+] by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1nn(C)c(N2CC(C)C(C)C2)c1CC[NH3+]
|
Cc1nn(CO)c(N2CC(C)C(C)C2)c1CC[NH3+]
|
hydroxyl
| null |
ca4b60ff-ec6b-45c0-8805-6ecd986e4df8
|
add
|
Please add a amine to the molecule CCCCCCCC(=O)N(CC[NH+]1CCN(C(=O)CCCC)CC1)Cc1ccc(F)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCCCCC(=O)N(CC[NH+]1CCN(C(=O)CCCC)CC1)Cc1ccc(F)cc1.
|
CCCCCCCC(=O)N(Cc1ccc(F)cc1)C(N)C[NH+]1CCN(C(=O)CCCC)CC1
|
amine
| null |
21bbcb8a-c301-489e-83f2-0f33f22f58c8
|
add
|
Modify the molecule CCc1n[nH]c(=S)n1C1CCOC1C1CC1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1n[nH]c(=S)n1C1CCOC1C1CC1
|
CCc1n[nH]c(=S)n1C1CC(c2ccccc2)OC1C1CC1
|
benzene
| null |
02985827-a0de-4416-a3ef-88b3c6d24e85
|
add
|
Please add a hydroxyl to the molecule COC(=O)C(Br)C[NH+](C)CCc1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)C(Br)C[NH+](C)CCc1ccccc1.
|
COC(=O)C(Br)C[NH+](C)CCc1ccc(O)cc1
|
hydroxyl
| null |
fa7945df-7193-4c9e-8129-cdce9bd5f247
|
add
|
Please add a hydroxyl to the molecule COc1ccccc1COC1CCN(C(=O)c2cccc(OCC(=O)[O-])c2)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccccc1COC1CCN(C(=O)c2cccc(OCC(=O)[O-])c2)CC1.
|
COc1ccccc1COC1CCN(C(=O)c2cccc(OCC(=O)[O-])c2)CC1O
|
hydroxyl
| null |
054f148b-480a-410c-aee6-7cfac013d7ab
|
add
|
Modify the molecule O=C(COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)Nc1nccs1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)Nc1nccs1
|
O=C(COc1cc2oc(=O)cc(-c3ccc(-c4ccccc4)cc3)c2cc1Cl)Nc1nccs1
|
benzene
| null |
d17799bb-69c3-430c-86ac-c3643543e4e4
|
add
|
Modify the molecule CCCc1cc(CCl)cc(N(CC)Cc2ccccn2)n1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCc1cc(CCl)cc(N(CC)Cc2ccccn2)n1
|
CCCc1cc(CCl)cc(N(CC)Cc2ncccc2O)n1
|
hydroxyl
| null |
9fa792e4-c19c-42b0-bc43-7301e1eddd60
|
add
|
Please add a hydroxyl to the molecule Cc1cncc(CNC(=O)CCN2CCCS2(=O)=O)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cncc(CNC(=O)CCN2CCCS2(=O)=O)c1.
|
Cc1cncc(C(O)NC(=O)CCN2CCCS2(=O)=O)c1
|
hydroxyl
| null |
cf9cb97c-6d1c-4753-9889-4eb13d300e64
|
add
|
Please add a amine to the molecule [NH3+]C1CN(C(=O)NC2CCC[NH2+]C2)CC1c1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
[NH3+]C1CN(C(=O)NC2CCC[NH2+]C2)CC1c1ccccc1.
|
NC1CCC(NC(=O)N2CC([NH3+])C(c3ccccc3)C2)C[NH2+]1
|
amine
| null |
dcc01e2e-1688-4172-8f14-010f306100b7
|
add
|
Please add a amine to the molecule Nc1ccccc1OCCC(=O)N1CCCC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Nc1ccccc1OCCC(=O)N1CCCC1.
|
Nc1cccc(OCCC(=O)N2CCCC2)c1N
|
amine
| null |
3315b7b2-e53b-4615-92ba-a0ab66b861d4
|
add
|
Please add a benzene ring to the molecule O=C1N(Cc2nccs2)CCN1C1CC[NH2+]CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C1N(Cc2nccs2)CCN1C1CC[NH2+]CC1.
|
O=C1N(Cc2nccs2)CCN1C1CC[NH2+]CC1c1ccccc1
|
benzene
| null |
c352e9f6-bb2f-49b9-a8ff-bde47fccc2ba
|
add
|
Modify the molecule N#CC1CCCCC1N(CCO)Cc1ccccc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
N#CC1CCCCC1N(CCO)Cc1ccccc1
|
N#CC1C(c2ccccc2)CCCC1N(CCO)Cc1ccccc1
|
benzene
| null |
4aa6e823-1b94-4a50-a247-bb434d76c857
|
add
|
Modify the molecule COc1ccc(NC(=O)OC(C)(C)C)c(N)c1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(NC(=O)OC(C)(C)C)c(N)c1
|
COc1c(O)ccc(NC(=O)OC(C)(C)C)c(N)c1
|
hydroxyl
| null |
393467b8-70ca-41cb-8a0f-cc89b122ca08
|
add
|
Modify the molecule C=CC=CCCOc1ccc(C(O)(c2ccccc2)c2ccc(OCCC3C=CCc4c3c(O)n(C)c4O)cc2)cc1 by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=CC=CCCOc1ccc(C(O)(c2ccccc2)c2ccc(OCCC3C=CCc4c3c(O)n(C)c4O)cc2)cc1
|
C=CC(=CCCOc1ccc(C(O)(c2ccccc2)c2ccc(OCCC3C=CCc4c3c(O)n(C)c4O)cc2)cc1)CC=O
|
aldehyde
| null |
096118dc-cd31-42ea-9d9c-c6f5d94bca94
|
add
|
Please add a benzene ring to the molecule O=S(=O)(Nc1cccc(F)c1F)c1ccc(Br)c(Cl)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=S(=O)(Nc1cccc(F)c1F)c1ccc(Br)c(Cl)c1.
|
O=S(=O)(Nc1cccc(F)c1F)c1cc(Cl)c(Br)c(-c2ccccc2)c1
|
benzene
| null |
7490310d-36c7-45e6-b322-9545d4792ae9
|
add
|
Please add a hydroxyl to the molecule C=C(C)C[NH+]1CCN(C(=O)C(C)N2C(=O)c3ccccc3C2=O)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=C(C)C[NH+]1CCN(C(=O)C(C)N2C(=O)c3ccccc3C2=O)CC1.
|
C=C(C)C[NH+]1CCN(C(=O)C(CO)N2C(=O)c3ccccc3C2=O)CC1
|
hydroxyl
| null |
f358c7dd-afab-4af2-be47-f513670eb931
|
add
|
Please add a hydroxyl to the molecule O=C(NC1CCCc2ccccc21)c1ccc2nc[nH]c2c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(NC1CCCc2ccccc21)c1ccc2nc[nH]c2c1.
|
O=C(NC1CCCc2ccccc21)c1cc2[nH]cnc2cc1O
|
hydroxyl
| null |
66ff9806-1ecf-4236-8a36-274915e5df5d
|
add
|
Modify the molecule CCCc1ccc(NC(=O)CS(=O)(=O)Cc2ccc(Br)cc2)cc1 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCc1ccc(NC(=O)CS(=O)(=O)Cc2ccc(Br)cc2)cc1
|
CCCc1ccc(NC(=O)CS(=O)(=O)Cc2ccc(Br)cc2)cc1C(=O)O
|
carboxyl
| null |
5fbfb638-8dff-4a8b-b5e0-1b044593bf1a
|
add
|
Please add a aldehyde to the molecule CCN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1ccc(OC)c(C)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1ccc(OC)c(C)c1.
|
CCN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1cc(C)c(OC)c(CC=O)c1
|
aldehyde
| null |
49e1e4a6-cb93-45ad-9f11-d14eae788db0
|
add
|
Please add a benzene ring to the molecule CS(=O)C(=Cc1ccccc1)S(C)(=O)=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CS(=O)C(=Cc1ccccc1)S(C)(=O)=O.
|
CS(=O)C(=Cc1ccccc1-c1ccccc1)S(C)(=O)=O
|
benzene
| null |
a548bcc4-dd9f-49a2-bffd-46213e24731a
|
add
|
Please add a hydroxyl to the molecule O=C(NCc1ccc(Cl)nc1)C1(O)CCCC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(NCc1ccc(Cl)nc1)C1(O)CCCC1.
|
O=C(NCc1ccc(Cl)nc1)C1(O)CCCC1O
|
hydroxyl
| null |
e5c0fa20-d9da-4ee9-951c-be9f4d4ba4f2
|
add
|
Modify the molecule Cc1cc(C(=O)N2CCc3nn(Cc4ccccc4)c(=O)n3CC2)n(C)n1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(C(=O)N2CCc3nn(Cc4ccccc4)c(=O)n3CC2)n(C)n1
|
Cc1nn(C)c(C(=O)N2CCc3nn(Cc4ccccc4)c(=O)n3CC2)c1-c1ccccc1
|
benzene
| null |
ddbd8b74-d3e4-462b-ac3e-bf55d414fa4d
|
add
|
Modify the molecule CCCCCC(C)[NH2+]Cc1cc(CC)no1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCCC(C)[NH2+]Cc1cc(CC)no1
|
CCCCCC(C)[NH2+]Cc1cc(CCO)no1
|
hydroxyl
| null |
f74691dd-b1de-46b9-b7fd-9a100e3d2842
|
add
|
Modify the molecule CCN(CC)C1(C#N)CC[NH+](C)CC1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCN(CC)C1(C#N)CC[NH+](C)CC1
|
CCN(CCO)C1(C#N)CC[NH+](C)CC1
|
hydroxyl
| null |
b9560f55-ea45-4cb3-b17c-d4bc37512289
|
add
|
Please add a hydroxyl to the molecule Cc1ccc(-n2nc(-c3ccccc3)c3c4ccccc4n(Cc4cccc(-c5nn(-c6ccccc6)c(=O)c6c5c5ccccc5n6C)c4)c3c2=O)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(-n2nc(-c3ccccc3)c3c4ccccc4n(Cc4cccc(-c5nn(-c6ccccc6)c(=O)c6c5c5ccccc5n6C)c4)c3c2=O)cc1.
|
Cc1ccc(-n2nc(-c3ccccc3)c3c4ccccc4n(Cc4cccc(-c5nn(-c6ccccc6)c(=O)c6c5c5c(O)cccc5n6C)c4)c3c2=O)cc1
|
hydroxyl
| null |
e221da83-5206-4631-8d49-866de0f7aa87
|
add
|
Please add a amine to the molecule CCC(C)C(C)([NH3+])CC1CC2CCC1C2.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(C)C(C)([NH3+])CC1CC2CCC1C2.
|
CCC(C)C(C)([NH3+])CC1(N)CC2CCC1C2
|
amine
| null |
0c653e25-7874-401c-85b5-243f7cbc2e6f
|
add
|
Please add a hydroxyl to the molecule CS(=O)(=O)c1cccc(-c2ccc(C(=O)NCNC(=O)C(CCc3ccccc3)CN(C=O)OCc3ccccc3)o2)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CS(=O)(=O)c1cccc(-c2ccc(C(=O)NCNC(=O)C(CCc3ccccc3)CN(C=O)OCc3ccccc3)o2)c1.
|
CS(=O)(=O)c1cccc(-c2ccc(C(=O)NCNC(=O)C(CCc3cccc(O)c3)CN(C=O)OCc3ccccc3)o2)c1
|
hydroxyl
| null |
336ef415-6e21-4daf-927d-bf5f28bb3637
|
add
|
Please add a hydroxyl to the molecule Clc1ccnc2c1ccc1ncncc12.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Clc1ccnc2c1ccc1ncncc12.
|
Oc1cc2ncncc2c2nccc(Cl)c12
|
hydroxyl
| null |
39632754-b90f-4215-bb2c-10a9477c8b8a
|
add
|
Please add a hydroxyl to the molecule O=C1CCC(=O)[N+]1(O)Cc1cccc(C[N+]2(O)C(=O)CCC2=O)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C1CCC(=O)[N+]1(O)Cc1cccc(C[N+]2(O)C(=O)CCC2=O)c1.
|
O=C1CCC(=O)[N+]1(O)Cc1cc(O)cc(C[N+]2(O)C(=O)CCC2=O)c1
|
hydroxyl
| null |
1215a558-07bc-43f0-ab98-ba60f9595684
|
add
|
Modify the molecule CC([NH3+])c1cccc(NC(=O)c2ccc(Br)cc2O)c1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC([NH3+])c1cccc(NC(=O)c2ccc(Br)cc2O)c1
|
CC([NH3+])c1cccc(NC(=O)c2ccc(Br)cc2O)c1-c1ccccc1
|
benzene
| null |
be5290b1-34f8-44a3-8bd0-6551274f6cfa
|
add
|
Modify the molecule CCNC(C#N)c1ccccc1COC by adding a thiol.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCNC(C#N)c1ccccc1COC
|
CCNC(C#N)c1ccc(S)cc1COC
|
thiol
| null |
77cb67f8-43b0-4801-92c8-bd53dbbf439b
|
add
|
Please add a benzene ring to the molecule COCCn1ncc(Cl)c1C(=O)C1CCCCC1C[NH3+].
Please wrap the final SMILES in <smiles>...</smiles>.
|
COCCn1ncc(Cl)c1C(=O)C1CCCCC1C[NH3+].
|
[NH3+]CC1CCCCC1C(=O)c1c(Cl)cnn1CCOCc1ccccc1
|
benzene
| null |
f818da98-ce8b-4852-901c-dd276d7f62e7
|
add
|
Modify the molecule CCNC(NC(C)c1ccc(F)cc1F)=[NH+]Cc1csc(CC)n1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCNC(NC(C)c1ccc(F)cc1F)=[NH+]Cc1csc(CC)n1
|
CCNC(NC(C)c1ccc(F)cc1F)=[NH+]Cc1nc(CC)sc1O
|
hydroxyl
| null |
cb2245d1-9424-4790-992c-650a534ac323
|
add
|
Please add a nitrile to the molecule CCCC(C)C(=O)N(CC1CCC[NH2+]1)C(C)C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCC(C)C(=O)N(CC1CCC[NH2+]1)C(C)C.
|
CCCC(C)C(=O)N(CC1CCC[NH2+]1)C(C)CC#N
|
nitrile
| null |
53ee0fb1-7c55-4472-84d2-abfb6e3d10ce
|
add
|
Modify the molecule [NH3+]C(CCO)CSCc1ccco1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
[NH3+]C(CCO)CSCc1ccco1
|
[NH3+]C(CSCc1ccco1)CC(O)O
|
hydroxyl
| null |
a6682d0d-641e-4747-b8a1-b13855b5cf04
|
add
|
Please add a hydroxyl to the molecule CC(C)Oc1ncccc1CNC(=O)C(C)n1cccn1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)Oc1ncccc1CNC(=O)C(C)n1cccn1.
|
CC(C)Oc1nccc(O)c1CNC(=O)C(C)n1cccn1
|
hydroxyl
| null |
c10c7c75-9516-4641-a4e2-c5b77eb4ca9e
|
add
|
Modify the molecule Cc1cc(=O)nc(NCCOC(C)C)[nH]1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(=O)nc(NCCOC(C)C)[nH]1
|
CC(C)OCCNc1nc(=O)cc(CO)[nH]1
|
hydroxyl
| null |
708a2881-fb2f-45e4-9199-48c7dd35defd
|
add
|
Please add a hydroxyl to the molecule CCCC=CC=CCC=CCC=CCC=CCCCCC(=O)OC.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCC=CC=CCC=CCC=CCC=CCCCCC(=O)OC.
|
CCCC=CC=CCC=CCC=CCC=CCC(O)CCC(=O)OC
|
hydroxyl
| null |
47721e39-ba12-40ca-bc5f-296235f95341
|
add
|
Please add a carboxyl to the molecule CSc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CSc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1.
|
CSc1cc(C(=O)O)ccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1
|
carboxyl
| null |
6dd69910-fc6d-498a-946b-93a41c0fa077
|
add
|
Please add a hydroxyl to the molecule CC(C)(C)NC(=O)OC1C=CCC([NH3+])CCC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(C)NC(=O)OC1C=CCC([NH3+])CCC1.
|
CC(C)(C)NC(=O)OC1C=CC(O)C([NH3+])CCC1
|
hydroxyl
| null |
92c5be41-e2d6-4121-bc5c-1bafcfc294dd
|
add
|
Modify the molecule CCOC(=O)c1cnc(N2CCC(c3noc4c(N5CCc6cc(S(C)(=O)=O)ccc65)ncnc34)CC2)nc1 by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)c1cnc(N2CCC(c3noc4c(N5CCc6cc(S(C)(=O)=O)ccc65)ncnc34)CC2)nc1
|
CCOC(=O)c1cnc(N2CCC(c3noc4c(N5CCc6cc(S(C)(=O)=O)ccc65)ncnc34)C(N)C2)nc1
|
amine
| null |
ee4503ca-6230-4b31-a879-1866cb60fee3
|
add
|
Please add a hydroxyl to the molecule O=C(c1ccc(Cl)cc1)C1CCCN(C(=O)C2CCCC2)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(c1ccc(Cl)cc1)C1CCCN(C(=O)C2CCCC2)C1.
|
O=C(c1ccc(Cl)cc1)C1CCCN(C(=O)C2CCC(O)C2)C1
|
hydroxyl
| null |
3c486bd4-599e-40b2-8fb2-c82b7f22c82a
|
add
|
Please add a amine to the molecule C[NH+]=C(NCc1ncc(C)s1)NC1CC1c1ccccc1F.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH+]=C(NCc1ncc(C)s1)NC1CC1c1ccccc1F.
|
C[NH+]=C(NCc1ncc(C)s1)NC1C(N)C1c1ccccc1F
|
amine
| null |
f4d2128e-4c88-41cb-b88c-3b4c12169689
|
add
|
Please add a hydroxyl to the molecule CC1CC(C)CN(C(=O)N2CCCC(NC(=O)c3ccc(F)c(F)c3)C2)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1CC(C)CN(C(=O)N2CCCC(NC(=O)c3ccc(F)c(F)c3)C2)C1.
|
CC1CC(C)CN(C(=O)N2CCCC(O)(NC(=O)c3ccc(F)c(F)c3)C2)C1
|
hydroxyl
| null |
45880238-ca09-4362-a4ab-df1a0464c021
|
add
|
Modify the molecule COC(=O)C(CC(C)C)(C(=O)OC)C1CCCCC1 by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)C(CC(C)C)(C(=O)OC)C1CCCCC1
|
COC(=O)C(CC(C)C)(C(=O)OC)C1CCCC(CC=O)C1
|
aldehyde
| null |
5eaf0b25-62fc-41ad-a26f-eaaaaaac9835
|
add
|
Modify the molecule CCOC(=O)Cc1ccc(C#N)cc1C(=O)C(C)Br by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)Cc1ccc(C#N)cc1C(=O)C(C)Br
|
CCOC(=O)Cc1ccc(C#N)c(C(=O)O)c1C(=O)C(C)Br
|
carboxyl
| null |
98372371-7059-4351-bb00-a70e7f65b160
|
add
|
Please add a carboxyl to the molecule COC(=O)c1cc(OC(F)F)c(F)cc1C#N.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)c1cc(OC(F)F)c(F)cc1C#N.
|
COC(=O)c1c(C#N)cc(F)c(OC(F)F)c1C(=O)O
|
carboxyl
| null |
763eba5a-fc65-4ef3-bf65-8679b45febe0
|
add
|
Please add a benzene ring to the molecule CC([NH3+])C1C[NH+](CC2Cc3ccccc32)CCO1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC([NH3+])C1C[NH+](CC2Cc3ccccc32)CCO1.
|
CC([NH3+])C1C[NH+](CC2Cc3ccccc32)CC(c2ccccc2)O1
|
benzene
| null |
7d66b025-da53-4bf1-9a5c-fe22496cf548
|
add
|
Please add a benzene ring to the molecule C[NH+](C)CCCNC(=O)C1(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH+](C)CCCNC(=O)C1(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1.
|
C[NH+](C)CCCNC(=O)C1(C(=O)Nc2ccc(C(F)(F)F)cc2-c2ccccc2)CC1
|
benzene
| null |
d2210cb7-2126-4d5a-b28b-d950da7eea14
|
add
|
Modify the molecule Cc1nccn1Cc1nnc(C2CCCN(C(=O)c3cc[nH]c3)C2)n1C by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1nccn1Cc1nnc(C2CCCN(C(=O)c3cc[nH]c3)C2)n1C
|
Cc1nccn1Cc1nnc(C2(O)CCCN(C(=O)c3cc[nH]c3)C2)n1C
|
hydroxyl
| null |
49508904-2750-439e-b958-0cf0ba7a3ac2
|
add
|
Please add a hydroxyl to the molecule CC(=O)C1(Br)CCCCC1=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=O)C1(Br)CCCCC1=O.
|
CC(=O)C1(Br)CC(O)CCC1=O
|
hydroxyl
| null |
18235887-46a6-4645-9aba-b09d677251c9
|
add
|
Modify the molecule Cc1cc(CNC(=O)N2CC[NH+]3CCCCC3C2)no1 by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(CNC(=O)N2CC[NH+]3CCCCC3C2)no1
|
O=CCCc1cc(CNC(=O)N2CC[NH+]3CCCCC3C2)no1
|
aldehyde
| null |
c604e122-4344-4049-bed9-f66eda5480c7
|
add
|
Please add a benzene ring to the molecule Cc1cc(=O)cc(C)n1-c1cc(Br)ccn1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(=O)cc(C)n1-c1cc(Br)ccn1.
|
Cc1cc(=O)cc(Cc2ccccc2)n1-c1cc(Br)ccn1
|
benzene
| null |
43dffcf5-80a0-4e2b-b195-c4700dc97d2c
|
add
|
Please add a hydroxyl to the molecule C#CCCC([NH3+])C(OC)C1CCCCC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C#CCCC([NH3+])C(OC)C1CCCCC1.
|
C#CCCC([NH3+])C(O)C1CCCCC1
|
hydroxyl
| null |
421d5ec0-388e-4a37-9b9c-4ba1e404645f
|
add
|
Modify the molecule CCC1(C)CCN(S(=O)(=O)c2cc(Br)ccc2C)CC1 by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC1(C)CCN(S(=O)(=O)c2cc(Br)ccc2C)CC1
|
CCC1(C)CCN(S(=O)(=O)c2c(C)ccc(Br)c2CC=O)CC1
|
aldehyde
| null |
b3ad8a26-270c-4a81-a3e3-8bfb60042b1f
|
add
|
Modify the molecule CC(=O)N1CC[NH+](Cc2ccc(-c3cc4c(C)cccc4c[n+]3[O-])cc2)CC1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=O)N1CC[NH+](Cc2ccc(-c3cc4c(C)cccc4c[n+]3[O-])cc2)CC1
|
CC(=O)N1CC[NH+](C(O)c2ccc(-c3cc4c(C)cccc4c[n+]3[O-])cc2)CC1
|
hydroxyl
| null |
ab2dc671-e303-4870-b668-1038d2daabd6
|
add
|
Please add a benzene ring to the molecule CC(=O)NCC(CCl)OC(=O)OCc1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=O)NCC(CCl)OC(=O)OCc1ccccc1.
|
O=C(Cc1ccccc1)NCC(CCl)OC(=O)OCc2ccccc2
|
benzene
| null |
35a77508-0bb5-4bce-9360-a04fcabde132
|
add
|
Please add a benzene ring to the molecule OC(CC1CCOc2ccccc21)C(O)C1CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
OC(CC1CCOc2ccccc21)C(O)C1CC1.
|
OC(CC1CCOc2cc(-c3ccccc3)ccc21)C(O)C1CC1
|
benzene
| null |
f1f8823b-71e3-4606-b6a8-604b905c9b56
|
add
|
Please add a benzene ring to the molecule Cc1ccc(C)n1NC1CCCC1O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(C)n1NC1CCCC1O.
|
Cc1cc(-c2ccccc2)c(C)n1NC1CCCC1O
|
benzene
| null |
8dd25b2d-5ee6-42df-968a-439dc58ea044
|
add
|
Modify the molecule CCC1CCC(NC(=O)CCNC(=O)c2ccco2)(C(=O)[O-])CC1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC1CCC(NC(=O)CCNC(=O)c2ccco2)(C(=O)[O-])CC1
|
CCC1CCC(NC(=O)CCNC(=O)c2ccco2)(C(=O)[O-])C(O)C1
|
hydroxyl
| null |
2dd25410-94cb-4205-bab6-ded20a6ade3f
|
add
|
Please add a benzene ring to the molecule CCCCCCCCCCC(O)C[NH2+]CCCCC([NH3+])C(=O)[O-].
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCCCCCCCC(O)C[NH2+]CCCCC([NH3+])C(=O)[O-].
|
[NH3+]C(CCCC[NH2+]CC(O)CCCCCCCCCCc1ccccc1)C(=O)[O-]
|
benzene
| null |
7fe0c6c2-6eb7-4990-9324-41f667b19c41
|
add
|
Modify the molecule CCCc1cc(C(C)=O)ccc1OCc1ccc(C(=O)[O-])cc1OC by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCc1cc(C(C)=O)ccc1OCc1ccc(C(=O)[O-])cc1OC
|
COc1cc(C(=O)[O-])ccc1COc1ccc(C(C)=O)cc1CCCc1ccccc1
|
benzene
| null |
355cb3af-19d1-41e3-8570-7a1de1bba2ed
|
add
|
Please add a benzene ring to the molecule O=C(CCC(=O)N1CC[NH2+]CC1)NCc1ccco1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(CCC(=O)N1CC[NH2+]CC1)NCc1ccco1.
|
O=C(NCc1ccco1)C(CC(=O)N1CC[NH2+]CC1)c1ccccc1
|
benzene
| null |
429fd4eb-517e-461f-bc4c-3b0efaffae1e
|
add
|
Please add a carboxyl to the molecule CCOc1ccc(C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)C2c2c[nH]c3ccccc23)cc1OC.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOc1ccc(C2=C(O)C(=O)N(c3ccc(OC(C)C)cc3)C2c2c[nH]c3ccccc23)cc1OC.
|
CCOc1ccc(C2=C(O)C(=O)N(c3ccc(OC(C)(C)C(=O)O)cc3)C2c2c[nH]c3ccccc23)cc1OC
|
carboxyl
| null |
76f2a37b-7705-450a-8cdb-2baf8808d51c
|
add
|
Please add a benzene ring to the molecule CCNC(=NCC(c1ccc(OC)cc1)[NH+]1CCOCC1)NCCCCC(=O)OC.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCNC(=NCC(c1ccc(OC)cc1)[NH+]1CCOCC1)NCCCCC(=O)OC.
|
CCNC(=NCC(c1ccc(OC)cc1)[NH+]1CCOCC1c1ccccc1)NCCCCC(=O)OC
|
benzene
| null |
c4047406-cfce-454d-95ce-3fa7ce1825b9
|
add
|
Please add a benzene ring to the molecule CCOC(C)(CC)c1[nH+]c(O)cn1C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(C)(CC)c1[nH+]c(O)cn1C.
|
CCOC(C)(c1[nH+]c(O)cn1C)C(C)c1ccccc1
|
benzene
| null |
1dcdc23b-c574-4493-a40c-480a504094db
|
add
|
Modify the molecule N#CCNC(=O)c1ccc(N)cn1 by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>.
|
N#CCNC(=O)c1ccc(N)cn1
|
N#CC(CC=O)NC(=O)c1ccc(N)cn1
|
aldehyde
| null |
67c9f6a2-cd75-40e8-b70f-ff474f1314c2
|
add
|
Modify the molecule N#CC(NCc1cnccc1-c1c(F)cccc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
N#CC(NCc1cnccc1-c1c(F)cccc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
|
N#CC(NCc1c(-c2c(F)cccc2F)ccnc1O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
|
hydroxyl
| null |
0c6d1bc4-9c55-4776-b4fc-ae068f8eb3b8
|
add
|
Please add a benzene ring to the molecule CCNC(NCCCNC(=O)c1cccc(O)c1)=[NH+]Cc1ccc(C)cc1OCC.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCNC(NCCCNC(=O)c1cccc(O)c1)=[NH+]Cc1ccc(C)cc1OCC.
|
CCOc1cc(C)ccc1C[NH+]=C(NCCCNC(=O)c1cccc(O)c1)NCCc1ccccc1
|
benzene
| null |
dab7d864-9437-4578-bb34-0a3e1dece6ec
|
add
|
Please add a carboxyl to the molecule Cn1c(=O)nc2n(CCc3ccccc3)c3ccccc3nc-2c1=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cn1c(=O)nc2n(CCc3ccccc3)c3ccccc3nc-2c1=O.
|
Cn1c(=O)nc2n(CC(C(=O)O)c3ccccc3)c3ccccc3nc-2c1=O
|
carboxyl
| null |
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