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 |
|---|---|---|---|---|---|---|
7025ad70-d964-4776-94b1-c2cc7b6cf034
|
add
|
Modify the molecule CCC(C)N(Cc1cccc(OS(C)(=O)=O)c1)C(=O)N(C)C by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(C)N(Cc1cccc(OS(C)(=O)=O)c1)C(=O)N(C)C
|
CCC(C)N(C(=O)N(C)C)C(C(=O)O)c1cccc(OS(C)(=O)=O)c1
|
carboxyl
| null |
3f823f9f-f601-4051-9b7d-264ebc6d6ff5
|
add
|
Please add a benzene ring to the molecule C=CC(=O)N(C)c1cccc(C)n1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=CC(=O)N(C)c1cccc(C)n1.
|
Cc1cccc(N(C)C(=O)C=Cc2ccccc2)n1
|
benzene
| null |
12d5e595-f794-464c-a05f-ade12eceacbe
|
add
|
Modify the molecule Cc1ccc(NC(=O)CCNc2ccccc2C(C)C)cc1C by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(NC(=O)CCNc2ccccc2C(C)C)cc1C
|
Cc1ccc(NC(=O)CCNc2ccccc2C(C)Cc2ccccc2)cc1C
|
benzene
| null |
7ce89e5c-2969-46bf-aedd-6fcf11b11557
|
add
|
Modify the molecule C=C(C)CC(=O)C1C[NH+](CCC)CCO1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=C(C)CC(=O)C1C[NH+](CCC)CCO1
|
C=C(C)CC(=O)C1(c2ccccc2)C[NH+](CCC)CCO1
|
benzene
| null |
4f68ab2b-3e1e-4a58-874e-d6124047b0e9
|
add
|
Modify the molecule CCCCOc1ccc(C(=NNC(=O)c2ccncc2)C(=O)[O-])cc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCOc1ccc(C(=NNC(=O)c2ccncc2)C(=O)[O-])cc1
|
CCCCOc1ccc(C(=NNC(=O)c2ccnc(-c3ccccc3)c2)C(=O)[O-])cc1
|
benzene
| null |
1d847213-7fbd-47c3-9898-ec76d4197b31
|
add
|
Please add a carboxyl to the molecule CC(OCC(F)(F)F)C(=O)NC(CO)CC(C)(C)C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(OCC(F)(F)F)C(=O)NC(CO)CC(C)(C)C.
|
CC(OCC(F)(F)F)C(=O)NC(CC(C)(C)C)C(O)C(=O)O
|
carboxyl
| null |
9b86aed7-cadd-4a5e-8318-4c3718904339
|
add
|
Modify the molecule CN(c1cccc(Br)c1)C1CCCCC1[NH3+] by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN(c1cccc(Br)c1)C1CCCCC1[NH3+]
|
CN(c1ccc(O)c(Br)c1)C1CCCCC1[NH3+]
|
hydroxyl
| null |
eab2a6a9-a6d7-43fb-a17e-118d274d1af5
|
add
|
Modify the molecule O=C([O-])C1Cn2c(n[nH]c2=O)C[NH+]1CC1CCC1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C([O-])C1Cn2c(n[nH]c2=O)C[NH+]1CC1CCC1
|
O=C([O-])C1C(c2ccccc2)n2c(n[nH]c2=O)C[NH+]1CC1CCC1
|
benzene
| null |
5a4027a4-27bc-4790-96c9-e83024669c0f
|
add
|
Please add a amine to the molecule Cc1c(C[NH+]2CCCC2c2cncc(C[NH+]3CCCC3)n2)cnn1C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1c(C[NH+]2CCCC2c2cncc(C[NH+]3CCCC3)n2)cnn1C.
|
Cc1c(C(N)[NH+]2CCCC2c2cncc(C[NH+]3CCCC3)n2)cnn1C
|
amine
| null |
35665113-49d7-4264-bc78-cbfe0671ccc7
|
add
|
Modify the molecule CC1(C)CSC(=NCC[NH+]2CCCC2)N1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1(C)CSC(=NCC[NH+]2CCCC2)N1
|
CC1(CO)CSC(=NCC[NH+]2CCCC2)N1
|
hydroxyl
| null |
eda242b9-7653-43af-9409-61f211969293
|
add
|
Modify the molecule O=S(=O)(Cl)CC1=CCCCO1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=S(=O)(Cl)CC1=CCCCO1
|
O=S(=O)(Cl)CC1=C(O)CCCO1
|
hydroxyl
| null |
66dddec0-981f-4f1e-8e17-855557b2afef
|
add
|
Modify the molecule CC(N)(C[NH2+]CCc1nccs1)c1ccccc1 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(N)(C[NH2+]CCc1nccs1)c1ccccc1
|
CC(N)(C[NH2+]CCc1ncc(C(=O)O)s1)c1ccccc1
|
carboxyl
| null |
9c69fb12-48ee-4956-a33e-4a5aeb46d962
|
add
|
Modify the molecule COCC([NH3+])CN(C)C(=O)Cc1ccccc1F by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COCC([NH3+])CN(C)C(=O)Cc1ccccc1F
|
COCC([NH3+])CN(C)C(=O)Cc1ccc(-c2ccccc2)cc1F
|
benzene
| null |
c1875650-4f7b-4dee-9f77-b630fd41df56
|
add
|
Please add a nitrile to the molecule CC(C)[NH2+]CC(Cc1ccn(C)n1)c1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)[NH2+]CC(Cc1ccn(C)n1)c1ccccc1.
|
CC(C)[NH2+]CC(Cc1nn(C)cc1C#N)c1ccccc1
|
nitrile
| null |
22e2f00d-5b62-47ca-ad4e-e871f2caf1aa
|
add
|
Please add a hydroxyl to the molecule CC(C)(C)CCCC(C)(C)CO[Si].
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(C)CCCC(C)(C)CO[Si].
|
CC(C)(C)CCCC(C)(CO)CO[Si]
|
hydroxyl
| null |
6d18d3ae-0bca-4cee-bc47-3667c989747f
|
add
|
Please add a hydroxyl to the molecule CCC[NH2+]Cc1cn(-c2cc(Cl)cc(C(F)(F)F)c2)nn1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC[NH2+]Cc1cn(-c2cc(Cl)cc(C(F)(F)F)c2)nn1.
|
CCC[NH2+]Cc1cn(-c2cc(Cl)c(O)c(C(F)(F)F)c2)nn1
|
hydroxyl
| null |
5e601ae9-8dd1-4ad5-88e3-86e8a5aefb1e
|
add
|
Modify the molecule Cc1ccc(Br)c(C)c1 by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(Br)c(C)c1
|
Cc1ccc(Br)c(CCC=O)c1
|
aldehyde
| null |
af7a9b8b-efe0-4d11-b153-f41d0466f938
|
add
|
Modify the molecule Nc1nc2c3c(ccn3n1)C(c1cccc(F)c1F)Nc1ccccc1-2 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Nc1nc2c3c(ccn3n1)C(c1cccc(F)c1F)Nc1ccccc1-2
|
Nc1nc2c3c(ccn3n1)C(c1cccc(F)c1F)Nc1ccc(-c3ccccc3)cc1-2
|
benzene
| null |
dede5586-3e50-4106-8708-8cfa07864739
|
add
|
Modify the molecule O=C1CNC(=O)C(NC(=O)Cc2ccccc2)C1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C1CNC(=O)C(NC(=O)Cc2ccccc2)C1
|
O=C1CNC(=O)C(NC(=O)Cc2ccccc2O)C1
|
hydroxyl
| null |
cea7e033-a5d8-4d2f-a74e-9133f4d7f9ce
|
add
|
Modify the molecule O=C1CC(c2ccc(Cl)cc2)=Nc2cc(Cl)ccc2N1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C1CC(c2ccc(Cl)cc2)=Nc2cc(Cl)ccc2N1
|
O=C1CC(c2ccc(Cl)cc2)=Nc2cc(Cl)c(-c3ccccc3)cc2N1
|
benzene
| null |
b0a6869a-763c-4b73-be4f-e67d6b95598d
|
add
|
Modify the molecule CC1NC(=O)CCN(CCSc2ccccc2)C1=O by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1NC(=O)CCN(CCSc2ccccc2)C1=O
|
NCC1NC(=O)CCN(CCSc2ccccc2)C1=O
|
amine
| null |
93aee5fe-9240-4572-9a25-0e7264a418e1
|
add
|
Modify the molecule CCOC(=O)CCNc1nc(NCc2ccccn2)c2c(-c3ccccc3)csc2n1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)CCNc1nc(NCc2ccccn2)c2c(-c3ccccc3)csc2n1
|
O=C(CCNc1nc(NCc2ccccn2)c2c(-c3ccccc3)csc2n1)OCCc1ccccc1
|
benzene
| null |
9eb30deb-76dd-4422-9997-ca46cd59cd26
|
add
|
Please add a nitrile to the molecule CCN(CC)C(=O)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2)ccc1N1CCCN(C(=O)NC2CCCCC2)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCN(CC)C(=O)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2)ccc1N1CCCN(C(=O)NC2CCCCC2)CC1.
|
CCN(CC)C(=O)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2)ccc1N1CCN(C(=O)NC2CCCCC2)CCC1C#N
|
nitrile
| null |
7de165ab-5f8b-4d82-9d4e-c0aca4b6e65d
|
add
|
Modify the molecule O=C(c1ccc(Cl)cc1Cl)N(Cc1ccccn1)C1CCC[NH2+]CC1 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(c1ccc(Cl)cc1Cl)N(Cc1ccccn1)C1CCC[NH2+]CC1
|
O=C(c1ccc(Cl)cc1Cl)N(Cc1ccccn1)C1(C(=O)O)CCC[NH2+]CC1
|
carboxyl
| null |
87ee7676-92b3-4df3-b3fe-0d24d28dde10
|
add
|
Please add a hydroxyl to the molecule COC1=CC(OC)=C(C2=C(P(c3ccc(C)cc3)c3ccc(C)cc3)C=C(OC)C(C)C2OC)C(P(c2ccc(C)cc2)c2ccc(C)cc2)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC1=CC(OC)=C(C2=C(P(c3ccc(C)cc3)c3ccc(C)cc3)C=C(OC)C(C)C2OC)C(P(c2ccc(C)cc2)c2ccc(C)cc2)C1.
|
COC1=CC(OC)=C(C2=C(P(c3ccc(C)cc3O)c3ccc(C)cc3C=C(OC)C(C)C2OC)C(P(c2ccc(C)cc2)c2ccc(C)cc2)C1
|
hydroxyl
| null |
d8d6a10e-4753-4e42-9b8f-d7d25ee62484
|
add
|
Modify the molecule CCC1(C)Oc2ccc(NCc3cc(C(N)=O)cs3)cc2O1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC1(C)Oc2ccc(NCc3cc(C(N)=O)cs3)cc2O1
|
CC(O)C1(C)Oc2ccc(NCc3cc(C(N)=O)cs3)cc2O1
|
hydroxyl
| null |
cb1b57fd-1144-48a7-baf9-e15b44566b5d
|
add
|
Please add a hydroxyl to the molecule N#Cc1cccc(N2CC[NH+](CCCO)CC2)n1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
N#Cc1cccc(N2CC[NH+](CCCO)CC2)n1.
|
N#Cc1cccc(N2CC[NH+](CC(O)CO)CC2)n1
|
hydroxyl
| null |
def38247-8f6b-4545-9223-34f4a6cd278d
|
add
|
Modify the molecule CN(Cc1ccc(OC(F)F)cc1)C(=O)CSCc1ccc(C#N)cc1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN(Cc1ccc(OC(F)F)cc1)C(=O)CSCc1ccc(C#N)cc1
|
CN(Cc1ccc(OC(F)F)cc1)C(=O)CSCc1ccc(C#N)c(O)c1
|
hydroxyl
| null |
13eab73a-7b83-43f0-a84d-7d35449b5939
|
add
|
Please add a hydroxyl to the molecule O=C(C1=C2CCCC2Cc2ccccc21)c1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(C1=C2CCCC2Cc2ccccc21)c1ccccc1.
|
O=C(C1=C2C(O)CCC2Cc2ccccc21)c1ccccc1
|
hydroxyl
| null |
ce7af262-cc60-4219-9052-b9c04ab15982
|
add
|
Modify the molecule COCc1nnc(NC(=O)COc2ccc(-c3ccccc3)cc2)s1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COCc1nnc(NC(=O)COc2ccc(-c3ccccc3)cc2)s1
|
COCc1nnc(NC(=O)C(Oc2ccc(-c3ccccc3)cc2)c2ccccc2)s1
|
benzene
| null |
a9d31743-bcd6-4697-8664-8b75dba25d22
|
add
|
Modify the molecule COC(=O)C(Cc1cc(=O)oc2cc(OC)ccc12)NC(=O)C1CCCCC1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)C(Cc1cc(=O)oc2cc(OC)ccc12)NC(=O)C1CCCCC1
|
COC(=O)C(Cc1c(-c2ccccc2)c(=O)oc2cc(OC)ccc12)NC(=O)C1CCCCC1
|
benzene
| null |
346a0952-5ed5-4c24-807d-a4e2325fe502
|
add
|
Please add a benzene ring to the molecule CON=C(Cl)C12CCC[NH+](CC1)C2.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CON=C(Cl)C12CCC[NH+](CC1)C2.
|
CON=C(Cl)C12CCC(c3ccccc3)[NH+](CC1)C2
|
benzene
| null |
d72ffbe9-d78f-4551-a3b0-92519926181c
|
add
|
Please add a benzene ring to the molecule [NH3+]CCc1nnc(-c2cc(O)cc([N+](=O)[O-])c2)o1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
[NH3+]CCc1nnc(-c2cc(O)cc([N+](=O)[O-])c2)o1.
|
[NH3+]C(Cc1nnc(-c2cc(O)cc([N+](=O)[O-])c2)o1c1ccccc1
|
benzene
| null |
ea8d637a-aef0-48a5-8d3c-e72d0818ac98
|
add
|
Modify the molecule NCC(CN1CC[NH+](Cc2ccccc2)CC1)C(F)(F)F by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
NCC(CN1CC[NH+](Cc2ccccc2)CC1)C(F)(F)F
|
NCC(CN1CC[NH+](Cc2ccccc2)CC1c1ccccc1)C(F)(F)F
|
benzene
| null |
b87397f2-11b5-4a84-a8f8-c9d9484e8078
|
add
|
Please add a hydroxyl to the molecule COc1cc(CCC(=O)Oc2cccc3ccccc23)cc(OC)c1OC.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1cc(CCC(=O)Oc2cccc3ccccc23)cc(OC)c1OC.
|
COc1cc(CCC(=O)Oc2c(O)ccc3ccccc23)cc(OC)c1OC
|
hydroxyl
| null |
b255c1cc-0f0f-4197-8b1a-89e76445da1c
|
add
|
Modify the molecule CCOC(=O)c1sc(C(=O)OCC)c(OC(=O)N(C)C)c1C by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)c1sc(C(=O)OCC)c(OC(=O)N(C)C)c1C
|
CCOC(=O)c1sc(C(=O)OC(C)O)c(C)c1OC(=O)N(C)C
|
hydroxyl
| null |
1d7ddd8f-c608-4fcb-bc8e-7f139e3378d5
|
add
|
Modify the molecule O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCC(=O)NCC(F)(F)F by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCC(=O)NCC(F)(F)F
|
O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1ccccc1)NCC(=O)NCC(F)(F)F
|
benzene
| null |
a1d11791-018c-43c1-a31b-d54dee731622
|
add
|
Please add a benzene ring to the molecule COC(=O)c1c(C(C)C)nc(-c2ccc(C(F)(F)F)cc2)n1C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)c1c(C(C)C)nc(-c2ccc(C(F)(F)F)cc2)n1C.
|
COC(=O)c1c(C(C)Cc2ccccc2)nc(-c2ccc(C(F)(F)F)cc2)n1C
|
benzene
| null |
61d7758f-a5f3-4672-8b70-ebd685c3e60b
|
add
|
Please add a thiol to the molecule CN(CCCC(=O)OC12CCCCC1CCCC2)c1ccc(C2=C(O)C(=C3C=CC(=[N+](C)CCCC(=O)OC45CCCCC4CCCC5)C=C3)C2=O)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN(CCCC(=O)OC12CCCCC1CCCC2)c1ccc(C2=C(O)C(=C3C=CC(=[N+](C)CCCC(=O)OC45CCCCC4CCCC5)C=C3)C2=O)cc1.
|
CN(CCCC(=O)OC12CCCCC1CCCC2)c1ccc(C2=C(O)C(=C3C=CC(=[N+](C)CCCC(=O)OC45CCCCC4CCCC5)C(S)=C3)C2=O)cc1
|
thiol
| null |
d9a7d70d-d497-4025-b7d8-daf19fb9f068
|
add
|
Modify the molecule Cc1ccc2nc(COCC(=O)N3CCC4(CC3)CC(C)(O)C(n3cnc5c(N)nc(N)nc53)CO4)[nH]c2c1 by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc2nc(COCC(=O)N3CCC4(CC3)CC(C)(O)C(n3cnc5c(N)nc(N)nc53)CO4)[nH]c2c1
|
Cc1ccc2nc(COCC(=O)N3CCC4(CC3)CC(O)(CN)C(n3cnc5c(N)nc(N)nc53)CO4)[nH]c2c1
|
amine
| null |
6236d98c-9350-4aad-954c-78f6f2b41ff1
|
add
|
Modify the molecule CCCCNC(=[NH+]Cc1nnc(C)n1C)N1CCC(c2ccccc2)C1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCNC(=[NH+]Cc1nnc(C)n1C)N1CCC(c2ccccc2)C1
|
CCCCNC(=[NH+]Cc1nnc(C)n1C)N1CCC(c2ccccc2)C1c1ccccc1
|
benzene
| null |
38bad98b-44dd-4f55-b657-3e1ae79be0fb
|
add
|
Modify the molecule CC1CCN(C(=O)NC2CCCN(C3CCCCC3)C2=O)CCS1 by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1CCN(C(=O)NC2CCCN(C3CCCCC3)C2=O)CCS1
|
CC1CC(CC=O)N(C(=O)NC2CCCN(C3CCCCC3)C2=O)CCS1
|
aldehyde
| null |
21bee90d-59a4-4ab0-a509-1101a5633c57
|
add
|
Modify the molecule CN(C)c1ccc2c(c1)-c1cccc[n+]1CC2 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN(C)c1ccc2c(c1)-c1cccc[n+]1CC2
|
CN(CC(=O)O)c1ccc2c(c1)-c1cccc[n+]1CC2
|
carboxyl
| null |
ec537fe4-f192-4f3c-9510-297b6000e59c
|
add
|
Please add a carboxyl to the molecule CC(=O)c1cccc(NC(=O)CCOCC2CCCO2)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=O)c1cccc(NC(=O)CCOCC2CCCO2)c1.
|
CC(=O)c1cc(NC(=O)CCOCC2CCCO2)cc(C(=O)O)c1
|
carboxyl
| null |
b1d4b038-5921-430d-b538-2109c0c4ad44
|
add
|
Modify the molecule CC(C)(C)c1cc(O)c2c(c1)OC(C)(C)C1CC=C(CO)CC21 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(C)c1cc(O)c2c(c1)OC(C)(C)C1CC=C(CO)CC21
|
CC(C)(C)c1cc(O)c2c(c1)OC(C)(C)C1CC=C(CO)C(O)C21
|
hydroxyl
| null |
1d408cfc-1678-4eeb-9ce1-f72e846ce489
|
add
|
Modify the molecule C=CCn1c(=O)c(C(=O)OCCCC)c([O-])c2cc(OC)c(OC)cc21 by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=CCn1c(=O)c(C(=O)OCCCC)c([O-])c2cc(OC)c(OC)cc21
|
C=CCn1c(=O)c(C(=O)OC(N)CCC)c([O-])c2cc(OC)c(OC)cc21
|
amine
| null |
28042018-06fd-4180-ac9d-88d80cec8c41
|
add
|
Please add a benzene ring to the molecule CCOC(Cn1cc(C(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)nn1)OCC.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(Cn1cc(C(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)nn1)OCC.
|
CCOC(Cn1cc(C(=O)N(Cc2cc(-c3ccccc3)ccc2C(F)(F)F)C2CC2)nn1)OCC
|
benzene
| null |
dba05cd4-abaf-4515-8a35-3f71d2368771
|
add
|
Please add a thiol to the molecule CC(C)Oc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)Oc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1.
|
CC(C)Oc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)c(S)c1
|
thiol
| null |
7f995cb6-186a-4fff-ba63-2c5088830e28
|
add
|
Please add a benzene ring to the molecule CC(=O)N(C)CN=C(N)N[N+](=O)[O-].
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=O)N(C)CN=C(N)N[N+](=O)[O-].
|
CC(=O)N(CN=C(N)N[N+](=O)[O-])Cc1ccccc1
|
benzene
| null |
8f325382-b387-4355-bfc0-18d823e4c648
|
add
|
Please add a hydroxyl to the molecule Cc1csc(CCNS(=O)(=O)c2cccc(C#N)c2)n1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1csc(CCNS(=O)(=O)c2cccc(C#N)c2)n1.
|
Cc1csc(CCNS(=O)(=O)c2ccc(O)c(C#N)c2)n1
|
hydroxyl
| null |
a035262e-0097-49ad-905b-769345531a3c
|
add
|
Modify the molecule O=C(Cc1ccccc1)NC1CN(c2ccncn2)CC1CO by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(Cc1ccccc1)NC1CN(c2ccncn2)CC1CO
|
O=C(Cc1ccccc1)NC1CN(c2ccnc(C(=O)O)n2)CC1CO
|
carboxyl
| null |
795c2439-a458-40a3-814c-418a006eef39
|
add
|
Please add a hydroxyl to the molecule NS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(CC4CCC[NH2+]4)CC3)cc2)c1-c1nn[n-]n1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
NS(=O)(=O)c1c(C(F)(F)F)ccc(-c2ccc(C3CCN(CC4CCC[NH2+]4)CC3)cc2)c1-c1nn[n-]n1.
|
NS(=O)(=O)c1c(C(F)(F)F)cc(O)c(-c2ccc(C3CCN(CC4CCC[NH2+]4)CC3)cc2)c1-c1nn[n-]n1
|
hydroxyl
| null |
831d55cd-600b-4b08-b8d1-23eaf695e48c
|
add
|
Please add a nitrile to the molecule CSCCC(NC(=O)C([NH3+])Cc1cnc[nH]1)C(=O)NC(CCSC)C(=O)NC(CO)C(=O)[O-].
Please wrap the final SMILES in <smiles>...</smiles>.
|
CSCCC(NC(=O)C([NH3+])Cc1cnc[nH]1)C(=O)NC(CCSC)C(=O)NC(CO)C(=O)[O-].
|
CSCCC(NC(=O)C(CCSC)NC(=O)C([NH3+])(C#N)Cc1cnc[nH]1)C(=O)NC(CO)C(=O)[O-]
|
nitrile
| null |
6288b989-93c5-4305-83f1-90c26b2efeac
|
add
|
Please add a hydroxyl to the molecule CC1(c2nc(-c3cc(=O)[nH]c4ccccc34)no2)CCCCCC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1(c2nc(-c3cc(=O)[nH]c4ccccc34)no2)CCCCCC1.
|
CC1(c2nc(-c3cc(=O)[nH]c4ccccc34)no2)CCCCCC1O
|
hydroxyl
| null |
85982fc5-b750-468b-bd17-e83dc68eda0e
|
add
|
Please add a benzene ring to the molecule CC(=O)OC(CI)C1OC2OC(C)(C)OC2C1OC(C)=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=O)OC(CI)C1OC2OC(C)(C)OC2C1OC(C)=O.
|
CC(=O)OC(CI)C1OC2OC(C)(Cc3ccccc3)OC2C1OC(C)=O
|
benzene
| null |
d74d2421-0dfe-4bba-a393-79443ebe9e32
|
add
|
Modify the molecule CCC(C)NC(=O)c1cccc(CNC(=O)Cc2ccccc2C(=O)[O-])c1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(C)NC(=O)c1cccc(CNC(=O)Cc2ccccc2C(=O)[O-])c1
|
CCC(C)NC(=O)c1ccc(O)c(CNC(=O)Cc2ccccc2C(=O)[O-])c1
|
hydroxyl
| null |
8a0aeecd-aadf-4569-b286-4037b4cae339
|
add
|
Please add a benzene ring to the molecule COc1ccc(NCC2CC[NH2+]CC2)cc1OCCO.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(NCC2CC[NH2+]CC2)cc1OCCO.
|
COc1ccc(NC(c2ccccc2)C2CC[NH2+]CC2)cc1OCCO
|
benzene
| null |
1d96c15b-b3f5-4acb-b07f-30a4efaf50e9
|
add
|
Modify the molecule O=S(=O)(Nc1cc(Cl)ccc1Cl)c1cc(CO)cs1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=S(=O)(Nc1cc(Cl)ccc1Cl)c1cc(CO)cs1
|
O=S(=O)(Nc1cc(Cl)ccc1Cl)c1cc(C(O)c2ccccc2)cs1
|
benzene
| null |
67b23b46-c3c0-4b1a-a4c9-dfacbbb973fc
|
add
|
Please add a amine to the molecule Cc1cc(C)c(S(=O)(=O)N2CCCC2C(=O)N2CCOC(C)C2)c(C)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(C)c(S(=O)(=O)N2CCCC2C(=O)N2CCOC(C)C2)c(C)c1.
|
Cc1cc(C)c(S(=O)(=O)N2CCCC2C(=O)N2CCOC(C)(N)C2)c(C)c1
|
amine
| null |
1a2e47be-b61f-4014-b6b3-63ea5797b6d3
|
add
|
Please add a benzene ring to the molecule CC(=O)Cc1cccc(OC2CCC(C(=O)N(C)c3ccc(CN4CC[NH2+]C(C)C4)c(C)c3)CC2)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=O)Cc1cccc(OC2CCC(C(=O)N(C)c3ccc(CN4CC[NH2+]C(C)C4)c(C)c3)CC2)c1.
|
CC(=O)Cc1cccc(OC2(c3ccccc3)CCC(C(=O)N(C)c3ccc(CN4CC[NH2+]C(C)C4)c(C)c3)CC2)c1
|
benzene
| null |
7ff4a6b7-6416-410d-bb1d-1f9b919826b3
|
add
|
Modify the molecule CCN(Cc1cnn(C)c1)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCN(Cc1cnn(C)c1)c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]
|
CCN(Cc1cnn(C)c1)c1ccc(S(N)(=O)=O)c(-c2ccccc2)c1[N+](=O)[O-]
|
benzene
| null |
23b3541d-49c9-4968-9eef-dcc933d24979
|
add
|
Modify the molecule C[NH2+]CCCNC(=O)c1ccc2c(c1)oc(=O)n2Cc1cccc(NC(=O)[O-])c1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH2+]CCCNC(=O)c1ccc2c(c1)oc(=O)n2Cc1cccc(NC(=O)[O-])c1
|
C[NH2+]CCCNC(=O)c1ccc2c(oc(=O)n2Cc2cccc(NC(=O)[O-])c2)c1-c1ccccc1
|
benzene
| null |
5587d2b6-de14-438d-8f1d-876e7ec77cb4
|
add
|
Please add a hydroxyl to the molecule C[NH2+]Cc1cc(Cl)ccc1OCCC1CCCO1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH2+]Cc1cc(Cl)ccc1OCCC1CCCO1.
|
C[NH2+]Cc1c(OCCC2CCCO2)ccc(Cl)c1O
|
hydroxyl
| null |
6f090935-9929-4f94-ad62-14823321dc93
|
add
|
Please add a hydroxyl to the molecule CCOCCOCCn1cc[nH+]c1C1CCN(C(=O)CCOc2ccccc2F)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOCCOCCn1cc[nH+]c1C1CCN(C(=O)CCOc2ccccc2F)CC1.
|
CCOCCOCCn1cc[nH+]c1C1CCN(C(=O)CCOc2cc(O)ccc2F)CC1
|
hydroxyl
| null |
0d4bd36d-279d-4e30-834c-15cbc06384aa
|
add
|
Please add a hydroxyl to the molecule [NH3+]CC1CCCN1C(=O)NCC1CCOC2(CCC2)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
[NH3+]CC1CCCN1C(=O)NCC1CCOC2(CCC2)C1.
|
[NH3+]CC1C(O)CCN1C(=O)NCC1CCOC2(CCC2)C1
|
hydroxyl
| null |
72c70b04-91a4-4fba-b115-2f52f4746fa6
|
add
|
Modify the molecule Cc1cccc(Oc2ccc(B(O)O)cc2)c1 by adding a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cccc(Oc2ccc(B(O)O)cc2)c1
|
Cc1cccc(Oc2ccc(B(O)O)c(C#N)c2)c1
|
nitrile
| null |
815d365c-e2d9-4618-b847-8008f4424bf3
|
add
|
Please add a carboxyl to the molecule O=[N+]([O-])c1cccnc1NCc1ccnc(N2CCOCC2)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=[N+]([O-])c1cccnc1NCc1ccnc(N2CCOCC2)c1.
|
O=C(O)C1CN(c2cc(CNc3ncccc3[N+](=O)[O-])ccn2)CCO1
|
carboxyl
| null |
eef17ba3-a02c-462c-b43f-57e9123f148f
|
add
|
Please add a hydroxyl to the molecule O=S1(=O)CC[N+]2(CC1)CC1CCC2C(CO)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=S1(=O)CC[N+]2(CC1)CC1CCC2C(CO)C1.
|
O=S1(=O)CC[N+]2(CC1)CC1CC(O)C2C(CO)C1
|
hydroxyl
| null |
62f54473-5d26-4d45-8f15-60662c3add14
|
add
|
Modify the molecule COC1CN(C(=O)c2cn(C3C[NH2+]C3)nn2)CC1OC by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC1CN(C(=O)c2cn(C3C[NH2+]C3)nn2)CC1OC
|
COC1CN(C(=O)c2cn(C3C[NH2+]C3)nn2)C(O)C1OC
|
hydroxyl
| null |
a482304f-9b7e-4c58-b0f8-14967e486340
|
add
|
Modify the molecule c1cc[n+](N2CCNCC2)cc1 by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
c1cc[n+](N2CCNCC2)cc1
|
Nc1cc[n+](N2CCNCC2)cc1
|
amine
| null |
e6cecf7f-1cae-4fd5-9180-12687bf98260
|
add
|
Modify the molecule COCCNC(=O)C(C)Nc1cc(NN)nc(C)n1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COCCNC(=O)C(C)Nc1cc(NN)nc(C)n1
|
COCCNC(=O)C(C)(Nc1cc(NN)nc(C)n1)c1ccccc1
|
benzene
| null |
5c6c7405-01f9-424a-a667-0b042f89904a
|
add
|
Modify the molecule COc1ccc(C(C)=C2SC(=O)N(c3cccc(C)c3C)C2=O)cc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(C(C)=C2SC(=O)N(c3cccc(C)c3C)C2=O)cc1
|
COc1ccc(C(C)=C2SC(=O)N(c3ccc(-c4ccccc4)c(C)c3C)C2=O)cc1
|
benzene
| null |
7bc4d06f-f679-44db-8c6c-010312456ca1
|
add
|
Please add a amine to the molecule Cc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)C2c2cccc(OCc3ccccc3)c2)cc1C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)C2c2cccc(OCc3ccccc3)c2)cc1C.
|
Cc1ccc(N2C(=O)C(O)=C(c3ccc(Cl)cc3)C2c2cccc(OCc3ccc(N)cc3)c2)cc1C
|
amine
| null |
7f47a78d-37db-4f84-853e-239de58d4cfa
|
add
|
Modify the molecule CSN1CCC(C)(S(=O)(=O)CC(C)C)CC1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CSN1CCC(C)(S(=O)(=O)CC(C)C)CC1
|
CSN1CCC(C)(S(=O)(=O)CC(C)CO)CC1
|
hydroxyl
| null |
840e83b5-e51d-4e16-af7c-373eef83df01
|
add
|
Please add a benzene ring to the molecule Cc1cc(C)c(C(=O)NC(C)c2ccccc2N)c(C)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(C)c(C(=O)NC(C)c2ccccc2N)c(C)c1.
|
Cc1cc(C)c(C(=O)NC(C)c2ccccc2N)c(Cc2ccccc2)c1
|
benzene
| null |
03f92cfb-2cb4-4822-afef-6826f035b812
|
add
|
Modify the molecule COc1ccc(CC(=O)NCC(CCO)c2ccccc2)c(Cl)c1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(CC(=O)NCC(CCO)c2ccccc2)c(Cl)c1
|
COc1ccc(CC(=O)NCC(CCO)c2ccc(O)cc2)c(Cl)c1
|
hydroxyl
| null |
a9ad83ac-f93b-43f1-9d4e-a9cbf4d5fd72
|
add
|
Modify the molecule Cc1cc(C(F)(F)F)ccc1CF by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(C(F)(F)F)ccc1CF
|
Cc1c(CF)ccc(C(F)(F)F)c1O
|
hydroxyl
| null |
01b9db10-ab06-4d96-9b9e-6f532fb8fcb9
|
add
|
Please add a benzene ring to the molecule CCn1c(CN2C(=O)c3ccccc3C2=O)nc2ccc(Br)cc21.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCn1c(CN2C(=O)c3ccccc3C2=O)nc2ccc(Br)cc21.
|
CCn1c(CN2C(=O)c3ccc(-c4ccccc4)cc3C2=O)nc2ccc(Br)cc21
|
benzene
| null |
5fec007c-f833-435c-8ecf-e97d36b8a901
|
add
|
Modify the molecule C#CCCCC(O)CCCC by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C#CCCCC(O)CCCC
|
CCCCC(O)CCCC#Cc1ccccc1
|
benzene
| null |
030ec969-aca8-4921-8a7d-160435bd35b9
|
add
|
Please add a benzene ring to the molecule CCCCCCCCCC(=O)c1ccncc1CC.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCCCCCCC(=O)c1ccncc1CC.
|
CCCCCCCCCC(=O)c1cc(-c2ccccc2)ncc1CC
|
benzene
| null |
c54dca32-0ba9-4ad4-beec-31358b30768f
|
add
|
Please add a hydroxyl to the molecule CCCCCCC(=O)Oc1ccc2c(c1)c(CC(=O)[O-])c(C)n2C(=O)c1ccc(Cl)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCCCC(=O)Oc1ccc2c(c1)c(CC(=O)[O-])c(C)n2C(=O)c1ccc(Cl)cc1.
|
CCCCCCC(=O)Oc1ccc2c(c1)c(CC(=O)[O-])c(C)n2C(=O)c1ccc(Cl)c(O)c1
|
hydroxyl
| null |
95f27cbd-1ddc-412a-8ba5-d392b22b1532
|
add
|
Modify the molecule COc1ccc(C(=O)NCCCNC(=O)c2ccc(C[NH3+])cc2)cc1OC by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(C(=O)NCCCNC(=O)c2ccc(C[NH3+])cc2)cc1OC
|
COc1ccc(C(=O)NCCCNC(=O)c2ccc(C[NH3+])cc2C(=O)O)cc1OC
|
carboxyl
| null |
4fddf8f3-0256-4945-bc2b-e28209d41c32
|
add
|
Modify the molecule Cc1ccc2noc(CCC(=O)[O-])c2c1 by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc2noc(CCC(=O)[O-])c2c1
|
Cc1cc(N)c2noc(CCC(=O)[O-])c2c1
|
amine
| null |
d5f4bb5f-d34e-48b7-badc-3900f5eaf527
|
add
|
Modify the molecule NC(N)=[NH+]CCCC([NH3+])C(=O)NC(Cc1cnc[nH]1)C(=O)NCC(=O)NCC(=O)[O-] by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
NC(N)=[NH+]CCCC([NH3+])C(=O)NC(Cc1cnc[nH]1)C(=O)NCC(=O)NCC(=O)[O-]
|
NC(N)=[NH+]C(CCC([NH3+])C(=O)NC(Cc1cnc[nH]1)C(=O)NCC(=O)NCC(=O)[O-])c1ccccc1
|
benzene
| null |
d99c7914-78f2-4eb6-ba0b-e8af77ff7277
|
add
|
Modify the molecule CCC(C)NC(=O)CCCCCn1c(=S)[nH]c2c([nH]c3ccc(OC)cc32)c1=O by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(C)NC(=O)CCCCCn1c(=S)[nH]c2c([nH]c3ccc(OC)cc32)c1=O
|
CCC(C)NC(=O)CCC(O)CCn1c(=S)[nH]c2c([nH]c3ccc(OC)cc32)c1=O
|
hydroxyl
| null |
e0bbb691-8965-4707-b470-bcf13f27ef15
|
add
|
Modify the molecule [NH3+]C1(CO)CCC(OCCCC(F)(F)F)C1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
[NH3+]C1(CO)CCC(OCCCC(F)(F)F)C1
|
[NH3+]C1(CO)CCC(OC(O)CCC(F)(F)F)C1
|
hydroxyl
| null |
e9311230-fa57-44a6-8ef9-34924362eb4a
|
add
|
Modify the molecule CC(=O)NC(Cc1ccccc1)C(=O)C(C)(C)C by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=O)NC(Cc1ccccc1)C(=O)C(C)(C)C
|
CC(=O)NC(Cc1ccccc1N)C(=O)C(C)(C)C
|
amine
| null |
ae1c4384-3ee0-4b4a-9ae1-8237dadde512
|
add
|
Modify the molecule C=CCNC(=S)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=CCNC(=S)NN=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1
|
C=CCNC(=S)NN=Cc1ccc(-c2c(Cl)cc([N+](=O)[O-])cc2-c2ccccc2)o1
|
benzene
| null |
78eda358-c732-484d-94ad-e9bf648948a9
|
add
|
Modify the molecule CCc1ccc(C2SCC(=O)N2Cc2ccccn2)cc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1ccc(C2SCC(=O)N2Cc2ccccn2)cc1
|
CC(c1ccccc1)c1ccc(C2SCC(=O)N2Cc2ccccn2)cc1
|
benzene
| null |
5daf7717-e8b0-4771-bf85-948a5c2e974d
|
add
|
Modify the molecule CC1CC[NH+](Cc2ccccc2CNC(=O)CC2CC3CCC(C2)[NH2+]3)CC1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1CC[NH+](Cc2ccccc2CNC(=O)CC2CC3CCC(C2)[NH2+]3)CC1
|
CC1CC[NH+](Cc2ccccc2CNC(=O)CC2CC3CCC(O)(C2)[NH2+]3)CC1
|
hydroxyl
| null |
7c9a3f75-9325-43e0-85bc-280ef5c65dcd
|
add
|
Modify the molecule Cc1ccc(-c2cc3[nH]c2C=C2N=C(C=c4cc(-c5ccc(I)cc5)c([nH]4)=CC4=NC3(C)CC4(C)C)CC2(C)C)cc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(-c2cc3[nH]c2C=C2N=C(C=c4cc(-c5ccc(I)cc5)c([nH]4)=CC4=NC3(C)CC4(C)C)CC2(C)C)cc1
|
CC1(C)CC2=NC1=Cc1[nH]c(cc1-c1ccc(Cc3ccccc3)cc1)C1(C)CC(C)(C)C(=N1)C=c1[nH]c(cc1-c1ccc(I)cc1)=C2
|
benzene
| null |
72339bd9-0769-419f-aebb-3a5028f190cb
|
add
|
Please add a benzene ring to the molecule O=c1cc(CSc2ccc(Cl)cc2)[nH]c(N2CCN(c3ccccn3)CC2)n1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=c1cc(CSc2ccc(Cl)cc2)[nH]c(N2CCN(c3ccccn3)CC2)n1.
|
O=c1cc(CSc2ccc(Cl)c(-c3ccccc3)c2)[nH]c(N2CCN(c3ccccn3)CC2)n1
|
benzene
| null |
c303e2e6-887e-4954-8a3a-58ea84a51bb2
|
add
|
Modify the molecule C=CCn1c(CC(=O)Nc2ccc(OC)cc2)nnc1SCC(=O)Nc1nccs1 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=CCn1c(CC(=O)Nc2ccc(OC)cc2)nnc1SCC(=O)Nc1nccs1
|
C=CCn1c(CC(=O)Nc2ccc(OC)cc2C(=O)O)nnc1SCC(=O)Nc1nccs1
|
carboxyl
| null |
fef5b848-93e3-4d87-91b8-088036d63ab0
|
add
|
Modify the molecule Cc1sc(SCSC2=C(C(=O)[O-])N3C(=O)C(NC(=O)Cc4ccccc4)C3SC2)nc1C(N)=O by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1sc(SCSC2=C(C(=O)[O-])N3C(=O)C(NC(=O)Cc4ccccc4)C3SC2)nc1C(N)=O
|
Cc1sc(SCSC2=C(C(=O)[O-])N3C(=O)C(NC(=O)Cc4ccccc4)C3SC2N)nc1C(N)=O
|
amine
| null |
3e353b3b-20dd-4355-bf15-5423996c5429
|
add
|
Please add a benzene ring to the molecule O=C(NCC(=O)N1CCN(c2ccc(N3CC(Cn4ccnn4)OC3=O)cc2F)CC1)c1ccco1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(NCC(=O)N1CCN(c2ccc(N3CC(Cn4ccnn4)OC3=O)cc2F)CC1)c1ccco1.
|
O=C(NC(C(=O)N1CCN(c2ccc(N3CC(Cn4ccnn4)OC3=O)cc2F)CC1)c1ccccc1)c1ccco1
|
benzene
| null |
8f3b5dc3-9fe5-4db8-a9ad-5b3cf2b44451
|
add
|
Please add a hydroxyl to the molecule O=C(NCC1(O)C=CCCC1)C(=O)Nc1ccc(OC(F)(F)F)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(NCC1(O)C=CCCC1)C(=O)Nc1ccc(OC(F)(F)F)cc1.
|
O=C(NCC1(O)C=CCCC1)C(=O)Nc1ccc(OC(F)(F)F)c(O)c1
|
hydroxyl
| null |
90199e30-ecf0-49e3-b562-beea6d664ff4
|
add
|
Please add a benzene ring to the molecule CCOc1cc2c(cc1OCC)CN(C(=O)C(CC)(CC)C[NH3+])CC2.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOc1cc2c(cc1OCC)CN(C(=O)C(CC)(CC)C[NH3+])CC2.
|
CCOc1cc2c(cc1OC(C)c1ccccc1)CCN(C(=O)C(CC)(CC)C[NH3+])C2
|
benzene
| null |
a120db7e-6670-4138-be08-4ddaa9ed60ba
|
add
|
Please add a benzene ring to the molecule NC(=O)C1CCCN(c2ccc(CNC(=O)CC3C=CCC3)cc2)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
NC(=O)C1CCCN(c2ccc(CNC(=O)CC3C=CCC3)cc2)C1.
|
NC(=O)C1CC(c2ccccc2)CN(c2ccc(CNC(=O)CC3C=CCC3)cc2)C1
|
benzene
| null |
1bfff9b7-eaec-4268-9928-fd75c756fcda
|
add
|
Please add a carboxyl to the molecule CCC(NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(OC)c(C)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(OC)c(C)c1.
|
CCC(NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(OC)c(C)c1C(=O)O
|
carboxyl
| null |
7b6b3252-900b-41dd-be2b-df6d1b439a43
|
add
|
Modify the molecule Cn1cncc1C(Cc1ccc(I)cc1)NN by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cn1cncc1C(Cc1ccc(I)cc1)NN
|
Cn1cnc(O)c1C(Cc1ccc(I)cc1)NN
|
hydroxyl
| null |
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