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 |
|---|---|---|---|---|---|---|
bb402b09-18b2-46bb-9492-8e8e406a688a
|
add
|
Modify the molecule CC1[NH2+]CCC1C(=O)Nc1cc(C(N)=O)ccc1Cl by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1[NH2+]CCC1C(=O)Nc1cc(C(N)=O)ccc1Cl
|
CC1[NH2+]CCC1C(=O)Nc1cc(C(N)=O)cc(C(=O)O)c1Cl
|
carboxyl
| null |
3fbc9069-ab7f-40ad-bb64-179f281541ce
|
add
|
Modify the molecule CCOC(=O)C(C(=O)OCC)C(CC(=O)c1ccc(N(C)C)cc1)Cc1ccc([N+](=O)[O-])cc1 by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)C(C(=O)OCC)C(CC(=O)c1ccc(N(C)C)cc1)Cc1ccc([N+](=O)[O-])cc1
|
CCOC(=O)C(C(=O)OCC)C(CC(=O)c1ccc(N(C)CCC=O)cc1)Cc1ccc([N+](=O)[O-])cc1
|
aldehyde
| null |
315ba449-d2a8-4dbc-96fd-66d557ffbacb
|
add
|
Modify the molecule CC(C)CCNC(=O)COC(=O)c1ccc2noc(-c3ccccc3)c2c1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)CCNC(=O)COC(=O)c1ccc2noc(-c3ccccc3)c2c1
|
CC(C)CCNC(=O)COC(=O)c1ccc2noc(-c3ccc(O)cc3)c2c1
|
hydroxyl
| null |
3ddbe57c-68ee-4236-98d0-367caf02a6fd
|
add
|
Modify the molecule CC(C)CC(NC(=O)C(C)NC(=O)C(NC(=O)C1CCCN1C(=O)C([NH3+])CCC(N)=O)C(C)C)C(=O)NC(C)C(=O)[O-] by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)CC(NC(=O)C(C)NC(=O)C(NC(=O)C1CCCN1C(=O)C([NH3+])CCC(N)=O)C(C)C)C(=O)NC(C)C(=O)[O-]
|
CC(C)CC(NC(=O)C(C)NC(=O)C(NC(=O)C1CCCN1C(=O)C([NH3+])CCC(N)=O)C(C)C)C(=O)NC(Cc1ccccc1)C(=O)[O-]
|
benzene
| null |
fb938603-35ee-48f8-a23a-f2378e3124bc
|
add
|
Please add a benzene ring to the molecule CCCCCCCCCCC(CCCCCCCC)C(=O)OCCCCCCCC.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCCCCCCCC(CCCCCCCC)C(=O)OCCCCCCCC.
|
CCCCCCCCCCC(CCC(CCCCC)c1ccccc1)C(=O)OCCCCCCCC
|
benzene
| null |
8d2c0411-314e-4cbe-8a41-056b8ba80d49
|
add
|
Modify the molecule CCNc1ccc(C(=O)NCCc2noc(C)n2)cc1C by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCNc1ccc(C(=O)NCCc2noc(C)n2)cc1C
|
Cc1nc(CCNC(=O)c2ccc(NCCO)c(C)c2)no1
|
hydroxyl
| null |
3c1ed9e8-178f-4732-8b8f-37f114ac9840
|
add
|
Modify the molecule CCOC(=O)C(C)OC(=O)OC(C#N)c1ccccc1 by adding a thiol.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)C(C)OC(=O)OC(C#N)c1ccccc1
|
CCOC(=O)C(C)OC(=O)OC(S)(C#N)c1ccccc1
|
thiol
| null |
5e588180-b55e-4970-a623-7e63a4157ada
|
add
|
Modify the molecule O=C1OCCC2(CC2)N1c1cccc(Br)c1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C1OCCC2(CC2)N1c1cccc(Br)c1
|
O=C1OCC(c2ccccc2)C2(CC2)N1c1cccc(Br)c1
|
benzene
| null |
553e2454-f260-4fd0-9896-748d2a0b4b0d
|
add
|
Modify the molecule Cc1c(CC(=O)[O-])nn2c1CCC2 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1c(CC(=O)[O-])nn2c1CCC2
|
Cc1c(CC(=O)[O-])nn2c1CCC2O
|
hydroxyl
| null |
5ec00389-517e-4d2a-804a-0ff654e59335
|
add
|
Please add a amine to the molecule CCCc1ccn2c(n1)nc1c3ccccc3[nH]c12.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCc1ccn2c(n1)nc1c3ccccc3[nH]c12.
|
CC(N)Cc1ccn2c(n1)nc1c3ccccc3[nH]c12
|
amine
| null |
48b98187-57e4-4e4d-ac11-0676456d8910
|
add
|
Modify the molecule CCOC1CCC2(CC1)Cc1ccc(-c3cccc(C#N)c3)cc1C2=O by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC1CCC2(CC1)Cc1ccc(-c3cccc(C#N)c3)cc1C2=O
|
CC(OC1CCC2(CC1)Cc1ccc(-c3cccc(C#N)c3)cc1C2=O)c1ccccc1
|
benzene
| null |
4698e715-af2d-4f56-9358-c3a832b3f3bb
|
add
|
Please add a benzene ring to the molecule CCC(C(=O)N1CCC(c2nnsc2-c2cc(C)no2)CC1)c1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(C(=O)N1CCC(c2nnsc2-c2cc(C)no2)CC1)c1ccccc1.
|
Cc1cc(-c2snnc2C2CCN(C(=O)C(CCc3ccccc3)c3ccccc3)CC2)on1
|
benzene
| null |
dae6c4fa-4e13-44c2-8156-af2b788d1f33
|
add
|
Modify the molecule CC(C)(C)C1=CC[NH+](CCN2CCC([NH3+])CC2)CC1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(C)C1=CC[NH+](CCN2CCC([NH3+])CC2)CC1
|
CC(C)(C)C1=C(c2ccccc2)C[NH+](CCN2CCC([NH3+])CC2)CC1
|
benzene
| null |
3469d005-785c-40d1-9a45-c53055d2b2b3
|
add
|
Modify the molecule CCCCC(=CS(=O)(=O)c1ccc(C)cc1)[NH+]1CCCC1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCC(=CS(=O)(=O)c1ccc(C)cc1)[NH+]1CCCC1
|
CCCCC(=CS(=O)(=O)c1ccc(C)c(-c2ccccc2)c1)[NH+]1CCCC1
|
benzene
| null |
c1f15841-4b47-42a1-9bd4-d60e2d7010c5
|
add
|
Modify the molecule CCOC(=O)C(C)(C)NP(=O)(NC(C)(C)C(O)OCC)c1ccc(-c2nc(N)sc2CC(C)C)o1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)C(C)(C)NP(=O)(NC(C)(C)C(O)OCC)c1ccc(-c2nc(N)sc2CC(C)C)o1
|
CCOC(=O)C(C)(C)NP(=O)(NC(C)(C)C(O)(O)OCC)c1ccc(-c2nc(N)sc2CC(C)C)o1
|
hydroxyl
| null |
2c09bde0-6be9-4825-8a41-3f10262d8cfa
|
add
|
Modify the molecule Cc1ccc(C(=O)CCOCCC(C)C)cc1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(C(=O)CCOCCC(C)C)cc1
|
Cc1ccc(C(=O)CCOCCC(C)CO)cc1
|
hydroxyl
| null |
60dd36b4-2f9d-4711-b65f-25045ba6f62b
|
add
|
Please add a amine to the molecule CCC1(CC)NC(=O)CCN(c2ccc(Br)cc2Br)C1=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC1(CC)NC(=O)CCN(c2ccc(Br)cc2Br)C1=O.
|
CCC1(CC)NC(=O)CC(N)N(c2ccc(Br)cc2Br)C1=O
|
amine
| null |
144257b3-f819-4cfd-a072-9f6a9ee337a9
|
add
|
Please add a amine to the molecule C[N+](C)(C)CC(=O)N=NC=C1C=C(N([O-])[O-])C=CC1=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[N+](C)(C)CC(=O)N=NC=C1C=C(N([O-])[O-])C=CC1=O.
|
C[N+](C)(C)CC(=O)N=NC=C1C=C(N([O-])[O-])C(N)=CC1=O
|
amine
| null |
36ff2a43-867f-4d47-8c0e-ca1f0f45a48c
|
add
|
Modify the molecule CC(C)(C)C(=O)C(=O)NCC(O)(O)C(Cc1ccccc1)N(N)C(=O)OCCCCc1ccccc1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(C)C(=O)C(=O)NCC(O)(O)C(Cc1ccccc1)N(N)C(=O)OCCCCc1ccccc1
|
CC(C)(C)C(=O)C(=O)NC(O)C(O)(O)C(Cc1ccccc1)N(N)C(=O)OCCCCc1ccccc1
|
hydroxyl
| null |
bc07ede9-17ba-4bbf-92d9-5c47dcea4efc
|
add
|
Modify the molecule CC(C)(O)CCSc1cc2ccccc2[nH]1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(O)CCSc1cc2ccccc2[nH]1
|
CC(C)(O)CCSc1cc2c(O)cccc2[nH]1
|
hydroxyl
| null |
636598f8-90bd-4384-9aa1-11e86665610d
|
add
|
Please add a hydroxyl to the molecule COC(CNC(=O)N(C)C)CC(=O)[O-].
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(CNC(=O)N(C)C)CC(=O)[O-].
|
COC(OH)(CNC(=O)N(C)C)CC(=O)[O-]
|
hydroxyl
| null |
7ad9efca-939e-417c-937b-9475b173ff3a
|
add
|
Please add a hydroxyl to the molecule C[NH+](C)CCNC(=O)c1cccc(NC(=O)COc2ccccc2)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH+](C)CCNC(=O)c1cccc(NC(=O)COc2ccccc2)c1.
|
C[NH+](C)CCNC(=O)c1cccc(NC(=O)COc2ccccc2)c1O
|
hydroxyl
| null |
61eedbfd-70e3-4c3b-b9c0-2fc063cdde10
|
add
|
Modify the molecule C=CCc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=CCc1cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(OCC)c1OCc1ccc(C(=O)[O-])cc1
|
C=CCc1c(OCc2ccc(C(=O)[O-])cc2)c(OCC)cc(C=C(C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1-c1ccccc1
|
benzene
| null |
8b99358d-b565-4ba2-b70e-f32aa9307cf7
|
add
|
Modify the molecule O=C(C1CCCC[NH2+]1)N1CCCC2(CC[NH2+]C2)C1 by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(C1CCCC[NH2+]1)N1CCCC2(CC[NH2+]C2)C1
|
O=CCC1CCN(C(=O)C2CCCC[NH2+]2)CC12CC[NH2+]C2
|
aldehyde
| null |
5135f3f7-3c5d-48e1-acf0-2098eeb75d13
|
add
|
Please add a benzene ring to the molecule N#Cc1c(Br)ccc(F)c1C(O)(C1CCCCC1)C1CCCCC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
N#Cc1c(Br)ccc(F)c1C(O)(C1CCCCC1)C1CCCCC1.
|
N#Cc1c(Br)ccc(F)c1C(O)(C1CCCCC1)C1CCCC(c2ccccc2)C1
|
benzene
| null |
791af4ab-b1b2-4687-9115-2e736f488f5d
|
add
|
Modify the molecule COC(=O)c1ccc(CCC2CCOCC2)cc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)c1ccc(CCC2CCOCC2)cc1
|
O=C(OCc1ccccc1)c1ccc(CCC2CCOCC2)cc1
|
benzene
| null |
ad235cc1-8dc8-42b0-9034-9228b9922d82
|
add
|
Modify the molecule Cc1cc(C)c(S(=O)(=O)NCC(=O)NCCC2=CCCCC2)c(C)c1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(C)c(S(=O)(=O)NCC(=O)NCCC2=CCCCC2)c(C)c1
|
Cc1cc(C)c(S(=O)(=O)NCC(=O)NCCC2=CCCCC2)c(CO)c1
|
hydroxyl
| null |
bdd99ba9-4919-41ed-bc4c-fb5c67c36d20
|
add
|
Please add a benzene ring to the molecule C=CCOc1ccc(C2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2CC[NH+](CC)CC)cc1OC.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=CCOc1ccc(C2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2CC[NH+](CC)CC)cc1OC.
|
C=CCOc1ccc(C2C(=C([O-])c3ccc(C)cc3)C(=O)C(=O)N2CC[NH+](CC)CC)c(-c2ccccc2)c1OC
|
benzene
| null |
ae631305-1820-4391-b35a-9266dbdbd399
|
add
|
Modify the molecule C[NH+]1CCN(C(=[NH2+])C(C)(C)c2ccc(F)cc2)CC1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH+]1CCN(C(=[NH2+])C(C)(C)c2ccc(F)cc2)CC1
|
CC(C)(C(=[NH2+])N1CC[NH+](CO)CC1)c1ccc(F)cc1
|
hydroxyl
| null |
32d54dd0-6600-405e-a79a-334e5a6f34d7
|
add
|
Please add a aldehyde to the molecule O=C([O-])c1cc(Cl)cc(NS(=O)(=O)N2CCCC2)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C([O-])c1cc(Cl)cc(NS(=O)(=O)N2CCCC2)c1.
|
O=CCc1c(Cl)cc(NS(=O)(=O)N2CCCC2)cc1C(=O)[O-]
|
aldehyde
| null |
28497fef-2839-4fb6-94d7-59168440a603
|
add
|
Modify the molecule CCOc1cc(C=C2SC(=[NH+]C(C)C)N(C(C)C)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOc1cc(C=C2SC(=[NH+]C(C)C)N(C(C)C)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1
|
CCOc1cc(C=C2SC(=[NH+]C(C)C)N(C(C)Cc3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1
|
benzene
| null |
4064e13d-0c26-4ac9-ac54-6cb976cd5f1b
|
add
|
Please add a amine to the molecule CCOCCOC(=O)NC(Cc1ccccc1)C(O)CC1(Cc2ccccc2)[NH2+]C=C(C2c3ccccc3C3NC(=O)OC32)C1=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOCCOC(=O)NC(Cc1ccccc1)C(O)CC1(Cc2ccccc2)[NH2+]C=C(C2c3ccccc3C3NC(=O)OC32)C1=O.
|
CCOCCOC(=O)NC(Cc1ccccc1)C(O)CC1(C(N)c2ccccc2)[NH2+]C=C(C2c3ccccc3C3NC(=O)OC32)C1=O
|
amine
| null |
839f041b-c539-4bbb-9106-257ae87ca758
|
add
|
Please add a aldehyde to the molecule C[NH+]1CCC23C4=C5CCC(OC6OC(C(=O)[O-])C(O)C(O)C6O)=C4OC2C(O)C=CC3C1C5.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH+]1CCC23C4=C5CCC(OC6OC(C(=O)[O-])C(O)C(O)C6O)=C4OC2C(O)C=CC3C1C5.
|
C[NH+]1CCC23C4=C5CCC(OC6OC(C(=O)[O-])C(O)C(O)C6O)=C4OC2C(O)C(CC=O)=CC3C1C5
|
aldehyde
| null |
732fd2ca-e03d-4c52-9e77-fa505736989b
|
add
|
Please add a hydroxyl to the molecule CCCCOC(=O)c1ccc(NC(C)=O)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCOC(=O)c1ccc(NC(C)=O)cc1.
|
CCCCOHC(=O)c1ccc(NC(C)=O)cc1
|
hydroxyl
| null |
babeb1cb-b2b3-488a-bd5c-886ad4bbcb56
|
add
|
Modify the molecule CCc1ccc(C2CCCN2S(=O)(=O)N2CCC(COC)C2)o1 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1ccc(C2CCCN2S(=O)(=O)N2CCC(COC)C2)o1
|
COCC1CCN(S(=O)(=O)N2CCCC2c2ccc(C(C)C(=O)O)o2)C1
|
carboxyl
| null |
101c2251-aa0b-42c8-8397-7d71574b6c67
|
add
|
Please add a amine to the molecule CS(=O)(=O)c1ccnc2c1c(Sc1cnsc1)c1n2CCCC1CC(=O)[O-].
Please wrap the final SMILES in <smiles>...</smiles>.
|
CS(=O)(=O)c1ccnc2c1c(Sc1cnsc1)c1n2CCCC1CC(=O)[O-].
|
NCS(=O)(=O)c1ccnc2c1c(Sc1cnsc1)c1n2CCCC1CC(=O)[O-].
|
amine
| null |
ee8299dc-5f07-458c-8e3c-cf371a517adf
|
add
|
Please add a nitrile to the molecule Cc1c(C(F)(F)F)[nH]c2c(C)ccc(Br)c2c1=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1c(C(F)(F)F)[nH]c2c(C)ccc(Br)c2c1=O.
|
Cc1c(C(F)(F)F)[nH]c2c(C)c(C#N)cc(Br)c2c1=O
|
nitrile
| null |
3e7a2c2b-efdb-4d8d-8e40-c6caba7e5d34
|
add
|
Modify the molecule CCCOc1cccc(N)n1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCOc1cccc(N)n1
|
Nc1cccc(OCCCc2ccccc2)n1
|
benzene
| null |
acc31a73-b194-4878-9ffd-d42d402456b9
|
add
|
Modify the molecule Cc1ccc(C(=O)N2CCCC2)cc1NC(=O)C1CC[NH+](C(C)C(=O)Nc2ccc(Cl)c(C(=O)N3CCCC3)c2)CC1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(C(=O)N2CCCC2)cc1NC(=O)C1CC[NH+](C(C)C(=O)Nc2ccc(Cl)c(C(=O)N3CCCC3)c2)CC1
|
Cc1ccc(C(=O)N2CCCC2)cc1NC(=O)C1(O)CC[NH+](C(C)C(=O)Nc2ccc(Cl)c(C(=O)N3CCCC3)c2)CC1
|
hydroxyl
| null |
506f7bd5-3fe5-4611-b273-dce449c9481d
|
add
|
Please add a hydroxyl to the molecule CCC(NC(=O)c1cc(F)c(N)c(F)c1)C1CCCCC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(NC(=O)c1cc(F)c(N)c(F)c1)C1CCCCC1.
|
CCC(NC(=O)c1cc(F)c(N)c(F)c1O)C1CCCCC1
|
hydroxyl
| null |
30b68808-0e38-4102-b7d7-bde86a11c7f8
|
add
|
Modify the molecule CC1CCCC(C)[NH+]1CCCC(N)=O by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1CCCC(C)[NH+]1CCCC(N)=O
|
CC1CCC(N)C(C)[NH+]1CCCC(N)=O
|
amine
| null |
b89580a0-afbb-4a56-aefc-632de7d8d714
|
add
|
Modify the molecule C=C(COC1CCCC(OCc2nc(-c3cccc(C)c3)oc2C)C1)C(=O)OCC by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=C(COC1CCCC(OCc2nc(-c3cccc(C)c3)oc2C)C1)C(=O)OCC
|
C=C(COC1CCCC(OCc2nc(-c3cccc(C)c3)oc2Cc2ccccc2)C1)C(=O)OCC
|
benzene
| null |
df4286e6-6f50-4600-8318-5b903b000bd4
|
add
|
Modify the molecule CC(C)c1ccc(C(=O)N(C)C2CCC[NH2+]CC2)cc1 by adding a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)c1ccc(C(=O)N(C)C2CCC[NH2+]CC2)cc1
|
CN(C(=O)c1ccc(C(C)(C)C#N)cc1)C1CCC[NH2+]CC1
|
nitrile
| null |
e7476004-b04f-429a-ab78-936a235c9f76
|
add
|
Modify the molecule [NH3+]CCCCC(O)C([NH3+])CCO by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
[NH3+]CCCCC(O)C([NH3+])CCO
|
[NH3+]C(CCCC(O)C([NH3+])CCO)c1ccccc1
|
benzene
| null |
f2750598-6baa-40e6-93b9-29ec533f5635
|
add
|
Modify the molecule CCOC(=O)N(CC[NH3+])C(=S)NCCCc1ccccc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)N(CC[NH3+])C(=S)NCCCc1ccccc1
|
CCOC(=O)N(CC[NH3+])C(=S)NCCC(c1ccccc1)c1ccccc1
|
benzene
| null |
b6c6267c-a3bb-489f-9dd0-0706eae446ef
|
add
|
Modify the molecule COC([Si])(CCCC1CC2C=CC1C2)OC by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC([Si])(CCCC1CC2C=CC1C2)OC
|
COC([Si])(CCCC1CC2C=CC1(c1ccccc1)C2)OC
|
benzene
| null |
280e395d-6a9b-4890-89cb-c6f21abdb09b
|
add
|
Please add a hydroxyl to the molecule CCC(C)COC(=O)OC(C)C(C)OC(=O)C([NH3+])Cc1ccc(OC(=O)C(C)C(C)C)c(OC(=O)C(C)C(C)C)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(C)COC(=O)OC(C)C(C)OC(=O)C([NH3+])Cc1ccc(OC(=O)C(C)C(C)C)c(OC(=O)C(C)C(C)C)c1.
|
CCC(C)COC(=O)OC(C)C(C)OC(=O)C([NH3+])C(O)c1ccc(OC(=O)C(C)C(C)C)c(OC(=O)C(C)C(C)C)c1
|
hydroxyl
| null |
0aa7286c-1305-4dc8-9d76-3e6a314b84d8
|
add
|
Please add a benzene ring to the molecule CCNC(=NCC(C)(C)[NH+]1CCCCC1)NC1CCN(c2cccs2)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCNC(=NCC(C)(C)[NH+]1CCCCC1)NC1CCN(c2cccs2)CC1.
|
CCNC(=NCC(C)(C)[NH+]1CCCCC1c1ccccc1)NC1CCN(c2cccs2)CC1
|
benzene
| null |
91f57e8d-1602-44b2-8276-bf78f2dd94c8
|
add
|
Please add a benzene ring to the molecule CCCn1c(=O)c2[nH]c(-c3ccc(N(CC4CC4)C(=O)c4ccc(I)nc4)nc3)cc2n(CCC)c1=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCn1c(=O)c2[nH]c(-c3ccc(N(CC4CC4)C(=O)c4ccc(I)nc4)nc3)cc2n(CCC)c1=O.
|
CCCn1c(=O)c2[nH]c(-c3ccc(N(C(=O)c4ccc(I)nc4)C(c4ccccc4)C4CC4)nc3)cc2n(CCC)c1=O
|
benzene
| null |
ec7666d0-f129-420d-b762-f76616dd0cfa
|
add
|
Please add a benzene ring to the molecule Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2N)c2cccc([N+](=O)[O-])c2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2N)c2cccc([N+](=O)[O-])c2)cc1.
|
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2N)c2cccc([N+](=O)[O-])c2)cc1-c1ccccc1
|
benzene
| null |
3a4f4788-c293-4bfc-aa81-02544b6cc74b
|
add
|
Modify the molecule Cc1cc(C)c(-c2csc(NC(=O)Cc3ccc(F)cc3)n2)c(C)c1 by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(C)c(-c2csc(NC(=O)Cc3ccc(F)cc3)n2)c(C)c1
|
Cc1cc(CN)cc(C)c1-c1csc(NC(=O)Cc2ccc(F)cc2)n1
|
amine
| null |
97fa82a9-4d05-4e02-a493-16e8a7e423c8
|
add
|
Please add a hydroxyl to the molecule CCCCn1nc(C(=O)Nc2ccc(OCC#N)cc2)c2ccccc2c1=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCn1nc(C(=O)Nc2ccc(OCC#N)cc2)c2ccccc2c1=O.
|
CCCCn1nc(C(=O)Nc2ccc(OCC#N)cc2)c2cccc(O)c2c1=O
|
hydroxyl
| null |
436f2d95-2a94-451a-b8d8-ffa294206501
|
add
|
Please add a hydroxyl to the molecule O=C1CC(Nc2cc(F)ccc2[N+](=O)[O-])CN1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C1CC(Nc2cc(F)ccc2[N+](=O)[O-])CN1.
|
O=C1CC(O)(Nc2cc(F)ccc2[N+](=O)[O-])CN1
|
hydroxyl
| null |
310728f2-b304-4476-8337-cc5070ae2022
|
add
|
Modify the molecule C1C[NH+](Cc2nnnn2C2CC2)CC2(CC2)CO1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C1C[NH+](Cc2nnnn2C2CC2)CC2(CC2)CO1
|
OC1CC12COCC[NH+](Cc1nnnn1C1CC1)C2
|
hydroxyl
| null |
4b2cc8b6-50fb-4ae2-a004-ce407977904d
|
add
|
Please add a hydroxyl to the molecule CC(C)C(C)n1cncc1C[NH3+].
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)C(C)n1cncc1C[NH3+].
|
CC(CO)C(C)n1cncc1C[NH3+]
|
hydroxyl
| null |
e6e29340-a834-4d26-9017-50b70bb5e677
|
add
|
Modify the molecule CCCOc1cccc(C([NH3+])C(=O)NCCCO)c1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCOc1cccc(C([NH3+])C(=O)NCCCO)c1
|
CCCOc1cc(-c2ccccc2)cc(C([NH3+])C(=O)NCCCO)c1
|
benzene
| null |
10acc4b2-d5f3-4584-bcb3-f55686a36f83
|
add
|
Modify the molecule CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccc3OC)C2c2ccc(O)cc2)cc1C(C)(C)C by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccc3OC)C2c2ccc(O)cc2)cc1C(C)(C)C
|
CCOc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccccc3OC)C2c2ccc(O)cc2)c(-c2ccccc2)c1C(C)(C)C
|
benzene
| null |
a80ef6cb-f223-41c1-b785-5f7e3b4273db
|
add
|
Modify the molecule Cc1ccc(Cl)c(OCn2ccc(C(=O)N3CC[NH+](Cc4cnn(C)c4)CC3)n2)c1 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(Cl)c(OCn2ccc(C(=O)N3CC[NH+](Cc4cnn(C)c4)CC3)n2)c1
|
Cc1ccc(Cl)c(OCn2cc(C(=O)O)c(C(=O)N3CC[NH+](Cc4cnn(C)c4)CC3)n2)c1
|
carboxyl
| null |
be8f5383-a521-4984-9771-e48bdd48c062
|
add
|
Please add a benzene ring to the molecule CCCCCCCCCCOc1ccc(-c2ccc(OC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCCCCCCCOc1ccc(-c2ccc(OC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)cc1.
|
CCCCCCCCCCOc1ccc(-c2ccc(OC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2-c2ccccc2)cc1
|
benzene
| null |
3c84f922-9754-4858-a6ee-31954e4407d5
|
add
|
Please add a hydroxyl to the molecule O=C(NC1CC1)c1ccc(C#CCO)c(F)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(NC1CC1)c1ccc(C#CCO)c(F)c1.
|
O=C(NC1CC1)c1cc(F)c(C#CCO)cc1O
|
hydroxyl
| null |
1df50a76-c4a9-40d8-8463-969e4c332b24
|
add
|
Modify the molecule CCOc1cc(C=NNc2nc(C)cc(C)n2)ccc1OCC(=O)Nc1ccccc1 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOc1cc(C=NNc2nc(C)cc(C)n2)ccc1OCC(=O)Nc1ccccc1
|
Cc1cc(C)nc(NN=Cc2ccc(OCC(=O)Nc3ccccc3)c(OC(C)C(=O)O)c2)n1
|
carboxyl
| null |
8acd0bf3-694a-4330-9292-c8eac2dc852b
|
add
|
Modify the molecule COC(=O)CCc1ccc(OCc2ccc(Oc3ccc(Oc4ccccc4)cc3)cc2)cc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)CCc1ccc(OCc2ccc(Oc3ccc(Oc4ccccc4)cc3)cc2)cc1
|
COC(=O)CCc1ccc(OCc2ccc(Oc3ccc(Oc4ccccc4)cc3)cc2-c2ccccc2)cc1
|
benzene
| null |
87dbc507-09a8-45a4-8bca-fa65cc7a5638
|
add
|
Please add a benzene ring to the molecule COC(=O)c1ccnc(C(F)(F)F)c1-c1ccc(OC(F)(F)F)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)c1ccnc(C(F)(F)F)c1-c1ccc(OC(F)(F)F)cc1.
|
COC(=O)c1c(-c2ccccc2)cnc(C(F)(F)F)c1-c1ccc(OC(F)(F)F)cc1
|
benzene
| null |
f546aff5-be06-49a6-80d2-c060b8d01482
|
add
|
Please add a benzene ring to the molecule O=C(NC(c1ccccc1)c1ccccc1)C1CC[NH+](Cc2ccc3ccccc3c2)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(NC(c1ccccc1)c1ccccc1)C1CC[NH+](Cc2ccc3ccccc3c2)CC1.
|
O=C(NC(c1ccccc1)c1ccccc1)C1CC[NH+](Cc2cc(-c3ccccc3)c3ccccc3c2)CC1
|
benzene
| null |
e1081218-46ca-4c27-8401-85f211be2192
|
add
|
Please add a hydroxyl to the molecule CC(C)Nc1cc[nH+]c(C(=O)Nc2c(Cl)cccc2Cl)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)Nc1cc[nH+]c(C(=O)Nc2c(Cl)cccc2Cl)c1.
|
CC(CO)Nc1cc[nH+]c(C(=O)Nc2c(Cl)cccc2Cl)c1
|
hydroxyl
| null |
86223763-69b3-4136-a69a-bf59c1d6ff5f
|
add
|
Modify the molecule C=CCN1C(=O)C(CC(=O)c2ccc(Br)cc2)SC1=[NH+]c1ccc(F)cc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=CCN1C(=O)C(CC(=O)c2ccc(Br)cc2)SC1=[NH+]c1ccc(F)cc1
|
C=CCN1C(=O)C(CC(=O)c2ccc(Br)cc2-c2ccccc2)SC1=[NH+]c1ccc(F)cc1
|
benzene
| null |
f1ef4db3-1169-440e-b29b-af06aea6fb1e
|
add
|
Modify the molecule Cc1cccc(NS(=O)(=O)c2cccc(C(=O)OCC(N)=O)c2)c1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cccc(NS(=O)(=O)c2cccc(C(=O)OCC(N)=O)c2)c1
|
Cc1cccc(NS(=O)(=O)c2cccc(C(=O)OCC(N)=O)c2-c2ccccc2)c1
|
benzene
| null |
aaf5a357-5eeb-41bf-bfd1-00a6ca63affa
|
add
|
Modify the molecule O=C([O-])c1ccc(CC(=CCc2ccc(O)cc2)c2ccccc2)cc1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C([O-])c1ccc(CC(=CCc2ccc(O)cc2)c2ccccc2)cc1
|
O=C([O-])c1ccc(CC(=CCc2ccc(O)cc2)c2ccc(O)cc2)cc1
|
hydroxyl
| null |
78969a2f-d943-43d3-a75c-29150fd5a719
|
add
|
Modify the molecule Cc1cc(F)cc(NS(=O)(=O)c2ccc(Cl)c(C[NH3+])c2)c1 by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(F)cc(NS(=O)(=O)c2ccc(Cl)c(C[NH3+])c2)c1
|
Cc1cc(F)c(N)c(NS(=O)(=O)c2ccc(Cl)c(C[NH3+])c2)c1
|
amine
| null |
b34312ef-e7ab-4d53-91b7-8bbd120060ae
|
add
|
Please add a hydroxyl to the molecule C[NH2+]C(Cc1ccc(F)c(Br)c1)C1CCc2ccccc21.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH2+]C(Cc1ccc(F)c(Br)c1)C1CCc2ccccc21.
|
C[NH2+]C(Cc1cc(Br)c(F)cc1O)C1CCc2ccccc21
|
hydroxyl
| null |
04459a49-140b-4dc3-9e8f-47aee0596eb1
|
add
|
Please add a hydroxyl to the molecule O=C(NCC1CC1)C1CCCN(C(=O)C2(O)CCCC2)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(NCC1CC1)C1CCCN(C(=O)C2(O)CCCC2)C1.
|
O=C(NCC1CC1)C1CCCN(C(=O)C2(O)CCC(O)C2)C1
|
hydroxyl
| null |
84bef176-d317-44e1-b451-06fcaf4bd369
|
add
|
Modify the molecule O=C1C(=Cc2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)SC(=S)N1Cc1ccc(F)cc1 by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C1C(=Cc2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)SC(=S)N1Cc1ccc(F)cc1
|
NC1COC2(CCN(c3nc4ccccn4c(=O)c3C=C3SC(=S)N(Cc4ccc(F)cc4)C3=O)CC2)O1
|
amine
| null |
45ea7140-528e-4416-b0db-62c22cb36da5
|
add
|
Please add a benzene ring to the molecule CC(C)n1c(=O)c2nscc2n(CC(=O)Nc2ccc(F)c(Cl)c2)c1=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)n1c(=O)c2nscc2n(CC(=O)Nc2ccc(F)c(Cl)c2)c1=O.
|
CC(Cc1ccccc1)n1c(=O)c2nscc2n(CC(=O)Nc2ccc(F)c(Cl)c2)c1=O
|
benzene
| null |
5fc1da76-13b9-41c9-b464-62862bafac58
|
add
|
Please add a hydroxyl to the molecule C=CCC1CCCC(CC(CCC)OCc2ccccc2)N1C(=O)OC.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=CCC1CCCC(CC(CCC)OCc2ccccc2)N1C(=O)OC.
|
C=CCC1CCCC(CC(CCCO)OCc2ccccc2)N1C(=O)OC
|
hydroxyl
| null |
d2b03128-3ad7-49f3-8b63-e78f8a68aefb
|
add
|
Modify the molecule Cc1cccc(C)c1-n1nnnc1SCC(=O)NCC(C)(C)[NH+]1CCOCC1 by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cccc(C)c1-n1nnnc1SCC(=O)NCC(C)(C)[NH+]1CCOCC1
|
Cc1cccc(C)c1-n1nnnc1SCC(=O)NCC(C)(C)[NH+]1CCOC(N)C1
|
amine
| null |
5c7b0ab6-343f-4473-beb0-c87310a3e307
|
add
|
Please add a thiol to the molecule CC(=O)N1CCc2cc(C(=O)NCCCc3nn(-c4ccc(F)cc4)c(N)c3C#N)ccc21.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=O)N1CCc2cc(C(=O)NCCCc3nn(-c4ccc(F)cc4)c(N)c3C#N)ccc21.
|
CC(=O)N1CCc2cc(C(=O)NCCCc3nn(-c4ccc(F)cc4)c(N)c3C#N)c(S)cc21
|
thiol
| null |
9af76d1e-e760-4e94-8e24-9b469d78c131
|
add
|
Modify the molecule Cc1c(SCCCSc2n[nH]c(N)n2)ccnc1CSc1nc2ccccc2[nH]1 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1c(SCCCSc2n[nH]c(N)n2)ccnc1CSc1nc2ccccc2[nH]1
|
Cc1c(SCC(CSc2n[nH]c(N)n2)C(=O)O)ccnc1CSc1nc2ccccc2[nH]1
|
carboxyl
| null |
17b17de4-e105-4b97-9062-a8698ede2690
|
add
|
Modify the molecule CCN(CC)C(=O)CCNC(=O)NC(CCOC)C(=O)[O-] by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCN(CC)C(=O)CCNC(=O)NC(CCOC)C(=O)[O-]
|
CCN(CC)C(=O)CCNC(=O)NC(O)(CCOC)C(=O)[O-]
|
hydroxyl
| null |
13459839-dc9c-408a-b6a5-fbacca8fa9e6
|
add
|
Modify the molecule Cc1cnc(Nc2nc(C(F)(F)F)ccc2C(N)=O)s1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cnc(Nc2nc(C(F)(F)F)ccc2C(N)=O)s1
|
NC(=O)c1ccc(C(F)(F)F)nc1Nc1ncc(CO)s1
|
hydroxyl
| null |
1c228b59-7203-4bfa-a3d4-6e95e1e93a1b
|
add
|
Please add a benzene ring to the molecule O=C(Cc1ccc2ccccc2c1)Nc1nc2c(nc1-c1cccs1)-c1ccc(O)cc1CC2.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(Cc1ccc2ccccc2c1)Nc1nc2c(nc1-c1cccs1)-c1ccc(O)cc1CC2.
|
O=C(Cc1ccc2cc(-c3ccccc3)ccc2c1)Nc1nc2c(nc1-c1cccs1)-c1ccc(O)cc1CC2
|
benzene
| null |
66d8cbb8-7fcd-49fc-a0d3-e198e44ed355
|
add
|
Please add a benzene ring to the molecule CC(=O)N1C=Cc2ccccc2C1CC(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=O)N1C=Cc2ccccc2C1CC(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1.
|
CC(=O)N1C=Cc2ccccc2C1CC(=O)Nc1cccc(S(=O)(=O)N2CCCCC(c3ccccc3)C2)c1
|
benzene
| null |
174e5875-87c8-4fbe-8b12-43c6ca350b2e
|
add
|
Please add a benzene ring to the molecule C[NH+]=C(NCCCCOCCc1ccccc1)NC1CC[NH+](Cc2ccccc2)C(C)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH+]=C(NCCCCOCCc1ccccc1)NC1CC[NH+](Cc2ccccc2)C(C)C1.
|
C[NH+]=C(NCCC(COCCc1ccccc1)c1ccccc1)NC1CC[NH+](Cc2ccccc2)C(C)C1
|
benzene
| null |
a6d54606-fc0c-434e-97fb-c04d3e3a0f89
|
add
|
Please add a aldehyde to the molecule CCCCC(O)Cn1cc2c(n1)CCc1c-2sc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c12.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCC(O)Cn1cc2c(n1)CCc1c-2sc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c12.
|
CCCCC(O)Cn1nc2c(c1CC=O)-c1sc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c1CC2
|
aldehyde
| null |
44c9e9be-3851-4f70-a321-dfa041d48d57
|
add
|
Modify the molecule CC(C)NC(=O)c1csc(-c2ccccn2)n1 by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)NC(=O)c1csc(-c2ccccn2)n1
|
CC(CN)NC(=O)c1csc(-c2ccccn2)n1
|
amine
| null |
8af1a686-55ff-48b6-9ed3-8e925c885e22
|
add
|
Please add a benzene ring to the molecule Cc1nn(C)c(NCc2cccc(OC3CCCCC3)c2)c1[N+](=O)[O-].
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1nn(C)c(NCc2cccc(OC3CCCCC3)c2)c1[N+](=O)[O-].
|
Cc1nn(C)c(NCc2cccc(OC3CCCC(c4ccccc4)C3)c2)c1[N+](=O)[O-]
|
benzene
| null |
3cad382c-df19-4d34-9a63-73e94277069b
|
add
|
Modify the molecule Cc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(C)on3)cc2)c(C)c1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(C)on3)cc2)c(C)c1
|
Cc1ccc(S(=O)(=O)Nc2ccc(Nc3cc(C)on3)c(-c3ccccc3)c2)c(C)c1
|
benzene
| null |
4e915716-db32-41a6-a81d-b43aee960545
|
add
|
Modify the molecule COCCCC(NC(=O)NCC(C)COC)C(=O)[O-] by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COCCCC(NC(=O)NCC(C)COC)C(=O)[O-]
|
COCC(C)CNC(=O)NC(CCC(O)OC)C(=O)[O-]
|
hydroxyl
| null |
2e2af484-e22b-4485-b892-a553ec7c36f5
|
add
|
Please add a hydroxyl to the molecule Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)c(Cl)c2)c2cccc(Cl)c2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)c(Cl)c2)c2cccc(Cl)c2)cc1.
|
Cc1ccc(S(=O)(=O)N(c2cccc(Cl)c2)C(O)C(=O)Nc2ccc(C)c(Cl)c2)cc1
|
hydroxyl
| null |
1afa3378-22b8-4cd6-9261-4b92e87482fd
|
add
|
Please add a benzene ring to the molecule O=c1c2ccccc2nc(SCc2c(F)cccc2F)n1CCc1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=c1c2ccccc2nc(SCc2c(F)cccc2F)n1CCc1ccccc1.
|
O=c1c2ccccc2nc(SCc2c(F)cccc2F)n1CCc1cccc(-c2ccccc2)c1
|
benzene
| null |
116e6d72-2469-4c18-9388-69e07e7fd7fa
|
add
|
Please add a hydroxyl to the molecule CC(C)(C)C=CC1(OCC(=O)[O-])C(C2COC(C)(C)O2)OC2OC(C)(C)OC21.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(C)C=CC1(OCC(=O)[O-])C(C2COC(C)(C)O2)OC2OC(C)(C)OC21.
|
CC(C)(C)C=CC1(OCC(=O)[O-])C2OC(C)(C)OC2OC1C1OC(C)(C)OC1O
|
hydroxyl
| null |
d8fa23b7-ce3c-4dc9-8cdb-3dac36ccd75b
|
add
|
Modify the molecule CCCCCN(c1ncc(N)cn1)C(C)C by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCCN(c1ncc(N)cn1)C(C)C
|
CCCCCN(c1ncc(N)cn1)C(C)Cc1ccccc1
|
benzene
| null |
223945db-ce29-4d2c-bf11-56cc3d6e1d39
|
add
|
Please add a benzene ring to the molecule CCCCCCCCCCCCCCCCCCSSN(C)C(=O)O[NH+]=C1SC(C)(C)C(=O)N1C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCCCCCCCCCCCCCCCSSN(C)C(=O)O[NH+]=C1SC(C)(C)C(=O)N1C.
|
CCCCCCCCCCCCCCCCCCSSN(Cc1ccccc1)C(=O)O[NH+]=C1SC(C)(C)C(=O)N1C
|
benzene
| null |
309b1a3d-8d5e-4979-a731-1a46272a6cca
|
add
|
Modify the molecule CCCC1CC([NH2+]CC)CN(C(C)C)C1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCC1CC([NH2+]CC)CN(C(C)C)C1
|
CC[NH2+]C1CC(C(CC)c2ccccc2)CN(C(C)C)C1
|
benzene
| null |
945ee77f-8b15-427c-93a3-04829d4ef9bb
|
add
|
Please add a benzene ring to the molecule CC(C)(C)[Si](C)(C)OC1CCCC(=C2CCCC(=C3CCCC3)CCC2)CCC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(C)[Si](C)(C)OC1CCCC(=C2CCCC(=C3CCCC3)CCC2)CCC1.
|
CC(C)(C)[Si](C)(C)OC1CCCC(=C2CCCC(=C3CCCC3)CC(c3ccccc3)C2)CCC1
|
benzene
| null |
2e36010a-cbd1-4986-ad0e-34840c467473
|
add
|
Modify the molecule CCOC(=O)C(OC(=O)c1cccc(OC)c1OC)c1ccc(Br)cc1F by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)C(OC(=O)c1cccc(OC)c1OC)c1ccc(Br)cc1F
|
COc1cccc(C(=O)OC(C(=O)OC(C)c2ccccc2)c2ccc(Br)cc2F)c1OC
|
benzene
| null |
5751ef04-7746-416e-95cc-e58550b8036f
|
add
|
Modify the molecule COc1ccccc1C=Cc1ccc2cccc(C(=O)[O-])c2n1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccccc1C=Cc1ccc2cccc(C(=O)[O-])c2n1
|
COc1ccc(O)cc1C=Cc1ccc2cccc(C(=O)[O-])c2n1
|
hydroxyl
| null |
87184ada-2f20-4da0-bd42-aaf549a66a78
|
add
|
Modify the molecule NC(=O)CCSc1nnc(-c2ccc[nH]2)o1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
NC(=O)CCSc1nnc(-c2ccc[nH]2)o1
|
NC(=O)C(CSc1nnc(-c2ccc[nH]2)o1c1ccccc1
|
benzene
| null |
46a1f668-bdc2-49c7-aa85-a10fc7f92586
|
add
|
Please add a carboxyl to the molecule CCC[NH2+]C(C)c1csc(C(CC)(CC)OCC)n1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC[NH2+]C(C)c1csc(C(CC)(CC)OCC)n1.
|
CCC[NH2+]C(C)c1csc(C(CC)(OCC)C(C)C(=O)O)n1
|
carboxyl
| null |
61718d89-863a-493a-a1ff-521a7ecc02b5
|
add
|
Modify the molecule CCOC(=O)COc1ccc(-c2ccc(OCCNC(=O)Cc3ccccc3)c(C(C)C)c2)cc1C(C)C by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)COc1ccc(-c2ccc(OCCNC(=O)Cc3ccccc3)c(C(C)C)c2)cc1C(C)C
|
CCOC(=O)COc1ccc(-c2ccc(OCCNC(=O)Cc3ccccc3)c(C(C)C)c2)cc1C(C)Cc1ccccc1
|
benzene
| null |
941233fa-b003-48af-8ab9-9ae1132dca97
|
add
|
Please add a hydroxyl to the molecule COc1ccc(CCC(=O)N(CCc2ccccc2)CC(=O)[O-])cc1F.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(CCC(=O)N(CCc2ccccc2)CC(=O)[O-])cc1F.
|
COc1cc(O)c(CCC(=O)N(CCc2ccccc2)CC(=O)[O-])cc1F
|
hydroxyl
| null |
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