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 |
|---|---|---|---|---|---|---|
3b966ddb-6aa3-4a33-bf7b-0527266f74c3
|
add
|
Please add a carboxyl to the molecule O=S1(=O)CCC(SC2NCC[NH2+]2)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=S1(=O)CCC(SC2NCC[NH2+]2)C1.
|
O=C(O)C1(SC2CCS(=O)(=O)C2)NCC[NH2+]1
|
carboxyl
| null |
82fe171f-9412-4c5d-91a7-3a2111af2151
|
add
|
Modify the molecule Cc1cccc(C([NH3+])c2c(C)cc(F)cc2C)c1Br by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cccc(C([NH3+])c2c(C)cc(F)cc2C)c1Br
|
Cc1cc(-c2ccccc2)cc(C([NH3+])c2c(C)cc(F)cc2C)c1Br
|
benzene
| null |
c5063f94-b3e8-4428-8dd3-c52eb5e13662
|
add
|
Please add a carboxyl to the molecule CC(C)(C)c1ccc(C(=O)NC2CCN(C(=O)Cc3ccccc3)CC2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(C)c1ccc(C(=O)NC2CCN(C(=O)Cc3ccccc3)CC2)cc1.
|
CC(C)(C)c1ccc(C(=O)NC2CCN(C(=O)Cc3ccccc3C(=O)O)CC2)cc1
|
carboxyl
| null |
06a4926e-132a-40ed-938c-79d2759ba8cf
|
add
|
Please add a amine to the molecule CN(C)C(=O)c1ccc(N(Cc2ccc3ccccc3c2)C(=O)CC(=O)c2ncccn2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN(C)C(=O)c1ccc(N(Cc2ccc3ccccc3c2)C(=O)CC(=O)c2ncccn2)cc1.
|
CN(C)C(=O)c1ccc(N(Cc2ccc3ccccc3c2)C(=O)C(N)C(=O)c2ncccn2)cc1
|
amine
| null |
ec3d6446-3057-455c-b16a-62dba30133d7
|
add
|
Modify the molecule CCC1CCCCN1C(=O)NC1CCCC1C(=O)[O-] by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC1CCCCN1C(=O)NC1CCCC1C(=O)[O-]
|
CCC1C(c2ccccc2)CCCN1C(=O)NC1CCCC1C(=O)[O-]
|
benzene
| null |
cc22e646-e6b6-4f04-b35b-d2a5c1c6b17f
|
add
|
Modify the molecule CCN(Cc1ccc(OC)cc1)C(=O)CN1CSCC1=O by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCN(Cc1ccc(OC)cc1)C(=O)CN1CSCC1=O
|
CCN(Cc1ccc(OC)c(N)c1)C(=O)CN1CSCC1=O
|
amine
| null |
8349bc6d-9b5e-456d-96c8-909378bf6936
|
add
|
Modify the molecule COc1ccc(CN2CC(C(=O)Nc3ccc(F)c(C(N)=O)c3)CC2=O)cc1 by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(CN2CC(C(=O)Nc3ccc(F)c(C(N)=O)c3)CC2=O)cc1
|
COc1ccc(CN2C(=O)CC(C(=O)Nc3ccc(F)c(C(N)=O)c3)C2N)cc1
|
amine
| null |
cba544fa-317e-4075-b8e6-3e3d58362978
|
add
|
Modify the molecule N#Cc1ccc(=O)[nH]c1C1CCCC1 by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
N#Cc1ccc(=O)[nH]c1C1CCCC1
|
N#Cc1ccc(=O)[nH]c1C1CCCC1N
|
amine
| null |
944dbed2-f075-4cc2-b78f-6cb74b2b3d88
|
add
|
Please add a benzene ring to the molecule CC(C)=CCCC(C)=CCCC(C)=CC(C)CC(C)=CCCC(C)=CCCC(C)=CCO.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)=CCCC(C)=CCCC(C)=CC(C)CC(C)=CCCC(C)=CCCC(C)=CCO.
|
CC(C)=CCCC(C)=CCCC(C)=CC(C)CC(C)=CCC(C(C)=CCCC(C)=CCO)c1ccccc1
|
benzene
| null |
c28ebeb8-eda5-43b0-b7d6-8715630bbf12
|
add
|
Modify the molecule CCOc1cc(OC)c(F)cc1F by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOc1cc(OC)c(F)cc1F
|
COc1cc(OCCO)c(F)cc1F
|
hydroxyl
| null |
577a525f-20ad-4801-be3a-5886a5080cc2
|
add
|
Please add a hydroxyl to the molecule O=C(c1cccc(-n2cnnn2)c1)N1CCC(N2C(=O)CNC2=O)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(c1cccc(-n2cnnn2)c1)N1CCC(N2C(=O)CNC2=O)CC1.
|
O=C(c1cccc(-n2cnnn2)c1)N1CCC(N2C(=O)CNC2=O)CC1O
|
hydroxyl
| null |
d752b95a-4d1e-42f2-84ce-ec50ee164d0b
|
add
|
Please add a benzene ring to the molecule Cc1cc(Br)ccc1NCCC(=O)[O-].
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(Br)ccc1NCCC(=O)[O-].
|
Cc1cc(Br)ccc1NC(CC(=O)[O-])c1ccccc1
|
benzene
| null |
ce2a4b5c-e4c0-4597-a5dd-98b9ce9796ce
|
add
|
Please add a benzene ring to the molecule CC1OCC(O)C(O)C1OC1CCCCO1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1OCC(O)C(O)C1OC1CCCCO1.
|
CC1OCC(O)C(O)C1OC1OCCCC1c1ccccc1
|
benzene
| null |
690f5bfe-c8b1-4408-a589-8fd9ebe17ae4
|
add
|
Modify the molecule CC(C)(O)CNc1nc(-c2ccccc2CO)cn2c(-c3ccc(C(N)=O)c(C4CC4)c3)c[nH+]c12 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(O)CNc1nc(-c2ccccc2CO)cn2c(-c3ccc(C(N)=O)c(C4CC4)c3)c[nH+]c12
|
CC(C)(O)CNc1nc(-c2ccc(-c3ccccc3)cc2CO)cn2c(-c3ccc(C(N)=O)c(C4CC4)c3)c[nH+]c12
|
benzene
| null |
41091302-f4e6-4b9c-84e2-f0694bc8cb8b
|
add
|
Modify the molecule Cc1cc(C)cc(C(=O)N2CC(c3nc(-c4cccnc4N(C)C)no3)C2)c1 by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(C)cc(C(=O)N2CC(c3nc(-c4cccnc4N(C)C)no3)C2)c1
|
Cc1cc(C)c(N)c(C(=O)N2CC(c3nc(-c4cccnc4N(C)C)no3)C2)c1
|
amine
| null |
18726d88-74e0-4b3b-98b5-855f38d42d35
|
add
|
Modify the molecule CCCC(=O)Nc1ccc(C(=O)NC(CC)CO)cc1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCC(=O)Nc1ccc(C(=O)NC(CC)CO)cc1
|
CCCC(=O)Nc1ccc(C(=O)NC(O)(CC)CO)cc1
|
hydroxyl
| null |
ece05111-aeb6-4156-aa24-ccc53de6942d
|
add
|
Modify the molecule FC(F)(F)COc1ccccc1NCc1ccc(Br)cn1 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
FC(F)(F)COc1ccccc1NCc1ccc(Br)cn1
|
O=C(O)C(Nc1ccccc1OCC(F)(F)F)c1ccc(Br)cn1
|
carboxyl
| null |
e8f6cc97-926f-49f0-afe3-49677bddeb97
|
add
|
Modify the molecule CCNC(=O)C(Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCNC(=O)C(Cc1ccccc1)N(Cc1ccccc1F)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O
|
CCNC(=O)C(Cc1ccccc1)N(Cc1c(O)cccc1F)C(=O)CN(c1cccc(C)c1C)S(C)(=O)=O
|
hydroxyl
| null |
54b29599-99b6-483c-957b-3c0054d415bf
|
add
|
Please add a benzene ring to the molecule N#CCC(=O)NCc1ccc(Cl)cc1Cl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
N#CCC(=O)NCc1ccc(Cl)cc1Cl.
|
N#CCC(=O)NCc1c(Cl)cc(Cl)cc1-c1ccccc1
|
benzene
| null |
0a259ea5-1f42-4299-aa84-a80b669975d1
|
add
|
Please add a benzene ring to the molecule CC(C(N)=[NH+]O)[NH+]1CCCC(CO)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C(N)=[NH+]O)[NH+]1CCCC(CO)C1.
|
CC(C(N)=[NH+]O)[NH+]1CCC(c2ccccc2)C(CO)C1
|
benzene
| null |
e52b0ae8-7abb-4d41-bf78-1dada4686217
|
add
|
Please add a aldehyde to the molecule Cc1cc(S(=O)(=O)NCC2(CO)CCCC2)cc(N)c1Cl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(S(=O)(=O)NCC2(CO)CCCC2)cc(N)c1Cl.
|
Cc1cc(S(=O)(=O)NCC2(CO)CCCC2)c(CC=O)c(N)c1Cl
|
aldehyde
| null |
0d38dae5-5b2f-41d5-ac39-7456dc3ec1e3
|
add
|
Modify the molecule CCOCCCCCc1ccc(C2CCC([NH3+])(COP(=O)([O-])[O-])C2)cc1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOCCCCCc1ccc(C2CCC([NH3+])(COP(=O)([O-])[O-])C2)cc1
|
CCOCCCCCc1ccc(C2CCC([NH3+])(COP(=O)([O-])[O-])C2)c(O)c1
|
hydroxyl
| null |
9871c22c-be65-409a-9cb5-275823091151
|
add
|
Please add a hydroxyl to the molecule [N-]=[N+]=NCC(O)C1CC2CCC1O2.
Please wrap the final SMILES in <smiles>...</smiles>.
|
[N-]=[N+]=NCC(O)C1CC2CCC1O2.
|
[N-]=[N+]=NCC(O)C1(O)CC2CCC1O2
|
hydroxyl
| null |
66bf676f-e210-4cb4-94f5-e1b008af201c
|
add
|
Modify the molecule O=C(c1ccco1)N1CCN(c2ccc(-c3ccccc3)nn2)CC1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(c1ccco1)N1CCN(c2ccc(-c3ccccc3)nn2)CC1
|
O=C(c1ccco1)N1CCN(c2ccc(-c3ccccc3O)nn2)CC1
|
hydroxyl
| null |
26e589b8-979a-4b5d-b96f-51e76da9b20a
|
add
|
Please add a benzene ring to the molecule CCC(CC1([NH3+])CC1)c1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(CC1([NH3+])CC1)c1ccccc1.
|
CC(c1ccccc1)C(CC1([NH3+])CC1)c1ccccc1
|
benzene
| null |
99ac2017-5743-4690-9668-b0693c7c27cb
|
add
|
Modify the molecule [NH3+]C1=C2[NH2+]C(O)N(Cc3ccccc3)C2N=C(OCCCCO)N1 by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>.
|
[NH3+]C1=C2[NH2+]C(O)N(Cc3ccccc3)C2N=C(OCCCCO)N1
|
[NH3+]C1=C2[NH2+]C(O)(CC=O)N(Cc3ccccc3)C2N=C(OCCCCO)N1
|
aldehyde
| null |
5047654e-4f6e-425a-8ab2-0f6039b3a386
|
add
|
Please add a benzene ring to the molecule C=CNC(=O)CCCCCC.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=CNC(=O)CCCCCC.
|
CCCCCCC(=O)NC=Cc1ccccc1
|
benzene
| null |
39585e52-e18c-4336-8b7d-2883156b5da4
|
add
|
Please add a benzene ring to the molecule O=C(Nc1nc2n(n1)CCCC2)C1(CCF)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(Nc1nc2n(n1)CCCC2)C1(CCF)CC1.
|
O=C(Nc1nc2n(n1)CCCC2)C1(C(CF)c2ccccc2)CC1
|
benzene
| null |
0bedf536-20b5-47b0-be2b-c3716a92d1f8
|
add
|
Please add a benzene ring to the molecule CC1(C)CCC(NC(=O)c2cc3cc(N)ccc3[nH]2)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1(C)CCC(NC(=O)c2cc3cc(N)ccc3[nH]2)C1.
|
CC1(C)CCC(NC(=O)c2cc3cc(N)ccc3[nH]2)(c2ccccc2)C1
|
benzene
| null |
9daf901d-d86a-4dbb-813a-77e52dc7ce62
|
add
|
Please add a benzene ring to the molecule Cc1cccc(Sc2ccccc2C)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cccc(Sc2ccccc2C)c1.
|
Cc1ccccc1Sc1cccc(C)c1-c1ccccc1
|
benzene
| null |
92d31022-30fd-4a18-a857-e880fc3a6ef3
|
add
|
Please add a benzene ring to the molecule CCCCC(CC)CNC(=O)C(=O)NCc1cccc(C)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCC(CC)CNC(=O)C(=O)NCc1cccc(C)c1.
|
CCC(CNC(=O)C(=O)NCc1cccc(C)c1)CC(CC)c1ccccc1
|
benzene
| null |
4e5001b7-a2fd-4cae-98ea-cf5ffac79d38
|
add
|
Please add a amine to the molecule CNc1cc(N2CCCC2CBr)nc(N)n1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CNc1cc(N2CCCC2CBr)nc(N)n1.
|
CNc1cc(N2CCC(N)C2CBr)nc(N)n1
|
amine
| null |
f3a8c818-6bdc-453e-9e8b-09ac07def527
|
add
|
Modify the molecule Cc1c(C(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cnn1-c1cccc(Cl)c1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1c(C(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cnn1-c1cccc(Cl)c1
|
Cc1c(C(=O)NCC(=O)N2CCN(c3ccc(Cl)c(-c4ccccc4)c3)CC2)cnn1-c1cccc(Cl)c1
|
benzene
| null |
1f933e9f-f370-4186-bb9f-19a3b57e72b8
|
add
|
Modify the molecule Cc1c(C(=O)Cc2cccc(Cl)n2)nnn1-c1ccc(F)cc1 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1c(C(=O)Cc2cccc(Cl)n2)nnn1-c1ccc(F)cc1
|
Cc1c(C(=O)Cc2cccc(Cl)n2)nnn1-c1ccc(F)c(C(=O)O)c1
|
carboxyl
| null |
a76c0585-3c12-4ce1-94da-54463b4bc51f
|
add
|
Please add a nitrile to the molecule CCOC(=O)c1c(NC(=O)CCSCCC(=O)Nc2sc(C(=O)N(C)C)c(C)c2C(=O)OCC)sc(C(=O)N(C)C)c1C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)c1c(NC(=O)CCSCCC(=O)Nc2sc(C(=O)N(C)C)c(C)c2C(=O)OCC)sc(C(=O)N(C)C)c1C.
|
CCOC(=O)c1c(NC(=O)CCSC(C#N)CC(=O)Nc2sc(C(=O)N(C)C)c(C)c2C(=O)OCC)sc(C(=O)N(C)C)c1C
|
nitrile
| null |
42adf584-37d6-4bff-a871-f573d5842c90
|
add
|
Modify the molecule C[NH+]1CCN(c2ccc(C(=O)N3CCC4(CC3)CC(=O)c3cc(Cl)ccc3O4)cc2[N+](=O)[O-])CC1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH+]1CCN(c2ccc(C(=O)N3CCC4(CC3)CC(=O)c3cc(Cl)ccc3O4)cc2[N+](=O)[O-])CC1
|
C[NH+]1CCN(c2ccc(C(=O)N3CCC4(CC3)CC(=O)c3cc(Cl)cc(-c5ccccc5)c3O4)cc2[N+](=O)[O-])CC1
|
benzene
| null |
7d719053-2716-4fac-b155-cb379dcb4e1d
|
add
|
Modify the molecule C=C1CC(=O)N(c2ccccc2Br)C1=O by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=C1CC(=O)N(c2ccccc2Br)C1=O
|
C=C1C(=O)N(c2ccccc2Br)C(=O)C1O
|
hydroxyl
| null |
83c68a04-dfab-4b84-ba3c-8cb0ff34074d
|
add
|
Modify the molecule COc1cccc(C(=O)Nc2ccc(NC(=O)CCNC(=O)C3CC[NH+](CC(=O)Nc4ccccc4C(=O)N4CCCC(C)C4)CC3)cc2C)c1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1cccc(C(=O)Nc2ccc(NC(=O)CCNC(=O)C3CC[NH+](CC(=O)Nc4ccccc4C(=O)N4CCCC(C)C4)CC3)cc2C)c1
|
COc1cc(O)cc(C(=O)Nc2ccc(NC(=O)CCNC(=O)C3CC[NH+](CC(=O)Nc4ccccc4C(=O)N4CCCC(C)C4)CC3)cc2C)c1
|
hydroxyl
| null |
da2f157c-df88-49f4-ba76-90b953af536e
|
add
|
Modify the molecule O=C(c1ccc(Cl)cc1)N1CCC([NH2+]C2CN(c3nc(C(F)(F)F)nc4ccccc34)CC2O)CC1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(c1ccc(Cl)cc1)N1CCC([NH2+]C2CN(c3nc(C(F)(F)F)nc4ccccc34)CC2O)CC1
|
O=C(c1ccc(Cl)c(-c2ccccc2)c1)N1CCC([NH2+]C2CN(c3nc(C(F)(F)F)nc4ccccc34)CC2O)CC1
|
benzene
| null |
c486fd9a-be56-4e1a-8512-086ab7a309f9
|
add
|
Please add a hydroxyl to the molecule Cc1ccc(C(C)NC(=O)CSCc2cccc(F)c2)cc1C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(C(C)NC(=O)CSCc2cccc(F)c2)cc1C.
|
Cc1cc(C(C)NC(=O)CSCc2cccc(F)c2)ccc1CO
|
hydroxyl
| null |
324c4493-6c67-4756-9194-9d6adff79196
|
add
|
Modify the molecule Cc1ccccc1-c1nnc(C[NH+](C)C2CCC(CO)CC2)o1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccccc1-c1nnc(C[NH+](C)C2CCC(CO)CC2)o1
|
Cc1cc(O)ccc1-c1nnc(C[NH+](C)C2CCC(CO)CC2)o1
|
hydroxyl
| null |
46766769-eca2-4f93-852f-0e3d6e227d75
|
add
|
Please add a hydroxyl to the molecule [N-]=[N+]=NCC=CCOC1OC(C(O)COC2OC(C(O)CO)C(O)C2O)C(O)C1O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
[N-]=[N+]=NCC=CCOC1OC(C(O)COC2OC(C(O)CO)C(O)C2O)C(O)C1O.
|
[N-]=[N+]=NCC=CCOC1OC(C(O)COC2OC(O)(C(O)CO)C(O)C2O)C(O)C1O
|
hydroxyl
| null |
0752355f-e93a-45d1-a93c-836ccea53b6a
|
add
|
Modify the molecule CCN(CC)CC[NH2+]C(C)c1cccc(NC(C)=O)c1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCN(CC)CC[NH2+]C(C)c1cccc(NC(C)=O)c1
|
CCN(CC)CC[NH2+]C(C)c1cc(O)cc(NC(C)=O)c1
|
hydroxyl
| null |
2ccb1652-122f-48c1-aea0-e7caeed4e000
|
add
|
Modify the molecule CC(C)CN(C(=O)C[NH+]1CCCC(CO)C1)C1CC1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)CN(C(=O)C[NH+]1CCCC(CO)C1)C1CC1
|
CC(CO)CN(C(=O)C[NH+]1CCCC(CO)C1)C1CC1
|
hydroxyl
| null |
cb76a82b-29d0-4d57-8fdd-b3a914680a31
|
add
|
Please add a hydroxyl to the molecule CCc1nc(N)c(C)c(Sc2nc3ccccc3[nH]2)n1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1nc(N)c(C)c(Sc2nc3ccccc3[nH]2)n1.
|
Cc1c(N)nc(C(C)O)nc1Sc1nc2ccccc2[nH]1
|
hydroxyl
| null |
187b65ba-c53c-4677-b9c5-5f33344bbae7
|
add
|
Modify the molecule CCOc1ccc(C2C(C(=O)OC)=CN=c3sc(=Cc4cc(Br)c(OCc5ccc([N+](=O)[O-])cc5)c(OCC)c4)c(=O)n32)cc1OCC by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOc1ccc(C2C(C(=O)OC)=CN=c3sc(=Cc4cc(Br)c(OCc5ccc([N+](=O)[O-])cc5)c(OCC)c4)c(=O)n32)cc1OCC
|
CCOc1ccc(C2C(C(=O)OC)=CN=c3sc(=Cc4cc(Br)c(OCc5ccc([N+](=O)[O-])cc5)c(OCC)c4)c(=O)n32)cc1OC(C)O
|
hydroxyl
| null |
fa7fd6ca-0d4a-4256-ab1e-2fcfd9ff11ca
|
add
|
Modify the molecule CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCCCCC=CCCCCCC by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCCCCC=CCCCCCC
|
CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OCC(COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCCCCC=C(CCCCCCC)c1ccccc1
|
benzene
| null |
f3dde041-ff28-4174-bf1b-97fc1f0c3a44
|
add
|
Please add a benzene ring to the molecule CCOc1cc(Cl)ccc1S(=O)(=O)N(C)C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOc1cc(Cl)ccc1S(=O)(=O)N(C)C.
|
CCOc1c(S(=O)(=O)N(C)C)ccc(Cl)c1-c1ccccc1
|
benzene
| null |
f55e6877-6b42-4b02-97ef-8e077d884233
|
add
|
Please add a amine to the molecule CCCCCCCC(C)(C)C=CCC=CCC=CCC=CCCCC(=O)NCc1ccc(O)c(OC)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCCCCC(C)(C)C=CCC=CCC=CCC=CCCCC(=O)NCc1ccc(O)c(OC)c1.
|
CCCCCCCC(C)(C)C=CCC=CCC=CCC=CCCCC(=O)NCc1cc(OC)c(O)cc1N
|
amine
| null |
9f578867-bef7-4025-be91-1a53ea8a6bcb
|
add
|
Please add a benzene ring to the molecule CCOc1ccc(N2C(=O)C3CNNC3[NH+]=C2SCC(=O)Nc2cccc(C)c2C)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOc1ccc(N2C(=O)C3CNNC3[NH+]=C2SCC(=O)Nc2cccc(C)c2C)cc1.
|
Cc1cccc(NC(=O)CSC2=[NH+]C3NNCC3C(=O)N2c2ccc(OC(C)c3ccccc3)cc2)c1C
|
benzene
| null |
ef39e1c0-d166-47ff-88e4-4fb2e2f19347
|
add
|
Please add a benzene ring to the molecule c1csc(-c2nc3ccccc3nc2N2CC[NH2+]CC2)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
c1csc(-c2nc3ccccc3nc2N2CC[NH2+]CC2)c1.
|
c1ccc(-c2cccc3nc(-c4cccs4)c(N4CC[NH2+]CC4)nc23)cc1
|
benzene
| null |
041f3e78-8130-4a61-aee9-b5e0d513abe2
|
add
|
Please add a hydroxyl to the molecule c1ccc(-c2ccc(-c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)ccc3-c3ccc(-c4ccccc4)cc3)cc2)cc#1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
c1ccc(-c2ccc(-c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)ccc3-c3ccc(-c4ccccc4)cc3)cc2)cc#1.
|
Oc1c(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)ccc(-c2ccc(-c3cc#ccc3)cc2)c1-c1ccc(-c2ccccc2)cc1
|
hydroxyl
| null |
4e9a997a-dfd4-430d-81fb-b0e4b5f5acba
|
add
|
Please add a benzene ring to the molecule O=C(c1ccccc1Cl)N1CCCC(c2[nH+]ccn2CC2CC2)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(c1ccccc1Cl)N1CCCC(c2[nH+]ccn2CC2CC2)C1.
|
O=C(c1cccc(-c2ccccc2)c1Cl)N1CCCC(c2[nH+]ccn2CC2CC2)C1
|
benzene
| null |
75dd5efc-0649-48bc-b78f-6a8579e71a6c
|
add
|
Please add a hydroxyl to the molecule CC(O)(C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)COc1ccccc1C#N.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(O)(C[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)COc1ccccc1C#N.
|
CC(O)(COc1ccccc1C#N)C(O)[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1
|
hydroxyl
| null |
44168957-1d8b-45c0-bb53-db71434eb34c
|
add
|
Modify the molecule CC12CC=C3C(CCC4=CC(=O)CCC43C(F)(F)F)C1=CCC2=O by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC12CC=C3C(CCC4=CC(=O)CCC43C(F)(F)F)C1=CCC2=O
|
CC12CC=C3C(CCC4=CC(=O)CCC43C(F)(F)F)C1=C(O)CC2=O
|
hydroxyl
| null |
928838ef-f27b-44d6-8ca7-972aeecaff5f
|
add
|
Modify the molecule Cc1c(-c2ccc(C(F)(F)F)cc2)nn(CC(C)C)c(=O)c1N1CC[NH+](C)CC1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1c(-c2ccc(C(F)(F)F)cc2)nn(CC(C)C)c(=O)c1N1CC[NH+](C)CC1
|
Cc1c(-c2ccc(C(F)(F)F)cc2)nn(CC(C)C)c(=O)c1N1CC[NH+](C)C(O)C1
|
hydroxyl
| null |
d54d2042-ef51-4373-a7fb-861fbf157b63
|
add
|
Modify the molecule CC1CCN(C(=O)C2CCCN2C(N)=O)CC12CCC2 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1CCN(C(=O)C2CCCN2C(N)=O)CC12CCC2
|
CC1(O)CCN(C(=O)C2CCCN2C(N)=O)CC12CCC2
|
hydroxyl
| null |
94f13661-e71e-450e-8e97-4fa0764a3e4d
|
add
|
Please add a benzene ring to the molecule O=S(=O)(CCS(=O)(=O)c1nc2ccccc2s1)c1ccccn1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=S(=O)(CCS(=O)(=O)c1nc2ccccc2s1)c1ccccn1.
|
O=S(=O)(CCS(=O)(=O)c1nc2ccccc2s1)c1cccc(-c2ccccc2)n1
|
benzene
| null |
97ae945a-974a-4937-b6da-ac93094d2564
|
add
|
Modify the molecule Cc1cc(Br)cc(C(Cl)Cc2ccc(Cl)c(Cl)c2)c1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(Br)cc(C(Cl)Cc2ccc(Cl)c(Cl)c2)c1
|
Cc1cc(Br)cc(C(Cl)Cc2ccc(Cl)c(Cl)c2)c1-c1ccccc1
|
benzene
| null |
ade76f80-a4e5-488b-9cbd-ddb740742f69
|
add
|
Modify the molecule N#CC(=C[NH2+]CCCCCC(=O)[O-])C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
N#CC(=C[NH2+]CCCCCC(=O)[O-])C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
|
N#CC(=C[NH2+]CCC(O)CCC(=O)[O-])C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
|
hydroxyl
| null |
965e2cc9-9712-4090-9244-8a186bffe21f
|
add
|
Modify the molecule OC1CC[NH+](CCN2CCOCC2)C1 by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>.
|
OC1CC[NH+](CCN2CCOCC2)C1
|
O=CCC(CN1CCOCC1)[NH+]1CCC(O)C1
|
aldehyde
| null |
3aabe182-a4da-4a14-8dc1-8e1fe5a40248
|
add
|
Please add a benzene ring to the molecule CCCc1ccc(-c2cn[nH]c2C[NH3+])cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCc1ccc(-c2cn[nH]c2C[NH3+])cc1.
|
CCCc1ccc(-c2cn[nH]c2C[NH3+])c(-c3ccccc3)c1
|
benzene
| null |
2d9080d3-e197-4ae5-b90b-3691e701331b
|
add
|
Modify the molecule Cc1nc(N2CCS(=O)(=O)CC2)ncc1C(C)C by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1nc(N2CCS(=O)(=O)CC2)ncc1C(C)C
|
Cc1nc(N2CCS(=O)(=O)CC2)ncc1C(C)Cc1ccccc1
|
benzene
| null |
0301c138-efe9-4fc1-83d9-213970f95eb0
|
add
|
Please add a benzene ring to the molecule COC(=O)C1CC[NH+](CC(=O)c2c(C)[nH]c3ccccc23)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)C1CC[NH+](CC(=O)c2c(C)[nH]c3ccccc23)CC1.
|
COC(=O)C1CC[NH+](CC(=O)c2c(C)[nH]c3ccccc23)CC1c1ccccc1
|
benzene
| null |
b43f154a-fb43-42a2-8cb1-7cd73a5c5561
|
add
|
Modify the molecule CC(C)(C)OOC(C[N+](=O)[O-])C(O[Si](C)(C)C(C)(C)C)c1ccccc1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(C)OOC(C[N+](=O)[O-])C(O[Si](C)(C)C(C)(C)C)c1ccccc1
|
CC(C)(C)OOC(C[N+](=O)[O-])C(O[Si](C)(C)C(C)(C)C)c1ccccc1O
|
hydroxyl
| null |
042f4fe9-a702-482a-ada1-c3643d9ced0f
|
add
|
Please add a aldehyde to the molecule Nc1cc(NCC2CCCS2)nc(-c2ccccc2)n1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Nc1cc(NCC2CCCS2)nc(-c2ccccc2)n1.
|
Nc1cc(NCC2CCCS2)nc(-c2cccc(CC=O)c2)n1
|
aldehyde
| null |
07addc0f-268f-4947-bfc3-9313daf2d030
|
add
|
Please add a benzene ring to the molecule Cc1nccn1CC1CCCN1C(=O)NCCN1c2ccccc2CC1C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1nccn1CC1CCCN1C(=O)NCCN1c2ccccc2CC1C.
|
Cc1nccn1CC1CCCN1C(=O)NCCN1c2c(cccc2-c2ccccc2)CC1C
|
benzene
| null |
7602f7a4-6bb7-41ac-a5e3-837e394d0b84
|
add
|
Please add a carboxyl to the molecule O=c1nc(CSc2nnc(Cc3ccccc3)n2-c2ccc(Cl)cc2)[nH]c2ccccc12.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=c1nc(CSc2nnc(Cc3ccccc3)n2-c2ccc(Cl)cc2)[nH]c2ccccc12.
|
O=C(O)c1cc(Cl)ccc1-n1c(Cc2ccccc2)nnc1SCc1nc(=O)c2ccccc2[nH]1
|
carboxyl
| null |
1a809800-bc4c-4cfc-9f2a-46f7f837c7e0
|
add
|
Modify the molecule CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1
|
CC(C)(C)NC(=O)c1cc(-c2ccccc2)ccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1
|
benzene
| null |
4d071832-12d6-4575-94ea-731446cf4be7
|
add
|
Modify the molecule CC1CCCC(C)[NH+]1CCc1cn2cc(N)ccc2[nH+]1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1CCCC(C)[NH+]1CCc1cn2cc(N)ccc2[nH+]1
|
CC1CCC(c2ccccc2)C(C)[NH+]1CCc1cn2cc(N)ccc2[nH+]1
|
benzene
| null |
4cee046f-240e-4532-8176-3eecebb014ae
|
add
|
Modify the molecule CNS(=O)(=O)c1ccc(NC(=S)Nc2cc(C)ccc2C)cc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CNS(=O)(=O)c1ccc(NC(=S)Nc2cc(C)ccc2C)cc1
|
CNS(=O)(=O)c1ccc(NC(=S)Nc2cc(C)cc(-c3ccccc3)c2C)cc1
|
benzene
| null |
829afab2-a74f-4454-97ef-f8a281c20d47
|
add
|
Modify the molecule Brc1cnc(C2CCC2)nc1Br by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Brc1cnc(C2CCC2)nc1Br
|
Brc1nc(C2CCC2)nc(-c3ccccc3)c1Br
|
benzene
| null |
1f67711b-27df-46f4-89fc-07aeb5908969
|
add
|
Please add a carboxyl to the molecule C[NH+]=C(NCCOC)NCCn1ccnc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH+]=C(NCCOC)NCCn1ccnc1.
|
C[NH+]=C(NCCOC)NCCn1cnc(C(=O)O)c1
|
carboxyl
| null |
503534a7-26eb-4b9d-9a1b-31a60060eb7e
|
add
|
Modify the molecule Cn1nc(-c2ccc(C[NH+]3CCC(NC(=O)COc4cccc(Cl)c4)CC3)s2)cc1C(F)(F)F by adding a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cn1nc(-c2ccc(C[NH+]3CCC(NC(=O)COc4cccc(Cl)c4)CC3)s2)cc1C(F)(F)F
|
Cn1nc(-c2cc(C#N)c(C[NH+]3CCC(NC(=O)COc4cccc(Cl)c4)CC3)s2)cc1C(F)(F)F
|
nitrile
| null |
716fce1b-cdb8-4452-8f95-7c2262cae948
|
add
|
Please add a benzene ring to the molecule CCN(Cc1ccccn1)c1ccc(CC[NH3+])cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCN(Cc1ccccn1)c1ccc(CC[NH3+])cc1.
|
CCN(Cc1cccc(-c2ccccc2)n1)c1ccc(CC[NH3+])cc1
|
benzene
| null |
1443b08a-89eb-46df-9564-04b5d0e73fe9
|
add
|
Please add a carboxyl to the molecule OC(c1ccccc1)C1COC(c2cccc(Br)c2)[NH2+]1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
OC(c1ccccc1)C1COC(c2cccc(Br)c2)[NH2+]1.
|
O=C(O)C(O)(c1ccccc1)C1COC(c2cccc(Br)c2)[NH2+]1
|
carboxyl
| null |
09e0978c-8074-4f15-a037-cf0404af1b15
|
add
|
Modify the molecule O=C(C1CN(C(=O)C2CCCCC2)C1)N1CCC(c2ccc(O)cc2)CC1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(C1CN(C(=O)C2CCCCC2)C1)N1CCC(c2ccc(O)cc2)CC1
|
O=C(C1CN(C(=O)C2CCCCC2O)C1)N1CCC(c2ccc(O)cc2)CC1
|
hydroxyl
| null |
9b6d63b4-e8b8-4461-ab2d-a3d4ba867e93
|
add
|
Modify the molecule CCC(=O)N1CC2(C[NH+](Cc3nccs3)C2)c2c(n(C)c3cc(OC)ccc23)C1CO by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(=O)N1CC2(C[NH+](Cc3nccs3)C2)c2c(n(C)c3cc(OC)ccc23)C1CO
|
CCC(=O)N1CC2(C[NH+](Cc3nccs3)C2)c2c(n(CO)c3cc(OC)ccc23)C1CO
|
hydroxyl
| null |
657b55a6-aeb4-4eeb-b326-4e931cbfd82c
|
add
|
Modify the molecule CC(OC(=O)C=Cc1ccccc1)C(=O)c1ccc(NS(C)(=O)=O)cc1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(OC(=O)C=Cc1ccccc1)C(=O)c1ccc(NS(C)(=O)=O)cc1
|
CC(OC(=O)C=Cc1cccc(O)c1)C(=O)c1ccc(NS(C)(=O)=O)cc1
|
hydroxyl
| null |
62f705f1-a62f-4062-8ebb-e1ce264dd91e
|
add
|
Please add a hydroxyl to the molecule COC(C)(C)CC(C)Nc1cc(Br)ccc1C#N.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(C)(C)CC(C)Nc1cc(Br)ccc1C#N.
|
COC(C)(CO)CC(C)Nc1cc(Br)ccc1C#N
|
hydroxyl
| null |
430c5c0a-c236-4a27-9916-619311556fe6
|
add
|
Modify the molecule CCCC1(CNS(=O)(=O)c2ccccc2F)CC1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCC1(CNS(=O)(=O)c2ccccc2F)CC1
|
CCCC1(CNS(=O)(=O)c2ccccc2F)CC1c1ccccc1
|
benzene
| null |
48c1c708-74bc-4a48-bebd-15fdf6dfbe75
|
add
|
Please add a amine to the molecule CC(C)(C)c1ccc(OCC(=O)N2CCC3(CC2)OCCS3)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(C)c1ccc(OCC(=O)N2CCC3(CC2)OCCS3)cc1.
|
CC(C)(C)c1ccc(OCC(=O)N2CCC3(CC2)OCCS3)c(N)c1
|
amine
| null |
41e750a2-c306-4645-ae54-266619127dc9
|
add
|
Please add a nitrile to the molecule Cc1ccc2c(c1)N(C)C(=O)C(C)(C(=O)NCCc1ccccc1Cl)O2.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc2c(c1)N(C)C(=O)C(C)(C(=O)NCCc1ccccc1Cl)O2.
|
CN1C(=O)C(C)(C(=O)NCCc2ccccc2Cl)Oc2ccc(CC#N)cc21
|
nitrile
| null |
9eba71e7-b099-4dbc-addc-5d5326000930
|
add
|
Modify the molecule COc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 by adding a carboxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1
|
COc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(C(=O)O)c([N+](=O)[O-])c2)cc1
|
carboxyl
| null |
8b73f189-be80-4b6f-82a2-9ceb9e4cc6eb
|
add
|
Please add a hydroxyl to the molecule COCc1nnc2n1Cc1c(C)ncn1-c1ccc(OC)cc1-2.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COCc1nnc2n1Cc1c(C)ncn1-c1ccc(OC)cc1-2.
|
COc1ccc2c(c1)-c1nnc(COCO)n1Cc1c(C)ncn1-2
|
hydroxyl
| null |
3dd0e1b3-b61a-4cd0-94a5-08a092d686ae
|
add
|
Please add a hydroxyl to the molecule Cc1ccc(-c2cn3ccnc3c(Nc3cccc(CC(=O)N(C)C)c3)n2)cc1NC(=O)c1ccc(C(C)(C)C)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(-c2cn3ccnc3c(Nc3cccc(CC(=O)N(C)C)c3)n2)cc1NC(=O)c1ccc(C(C)(C)C)cc1.
|
Cc1ccc(-c2cn3ccnc3c(Nc3cccc(CC(=O)N(C)C)c3)n2)cc1NC(=O)c1ccc(C(C)(C)CO)cc1
|
hydroxyl
| null |
ebde61b4-9152-498c-bf9c-bbf04b720de4
|
add
|
Modify the molecule CCc1ccc(-c2cc(OC)ccc2F)c(C(C)(C)C)c1F by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1ccc(-c2cc(OC)ccc2F)c(C(C)(C)C)c1F
|
CCc1cc(O)c(-c2cc(OC)ccc2F)c(C(C)(C)C)c1F
|
hydroxyl
| null |
19ecdde5-c6c3-4af8-9874-c6093daf0f50
|
add
|
Please add a amine to the molecule CC[NH2+]C1CCc2[nH]c3ccc(OC)cc3c2C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC[NH2+]C1CCc2[nH]c3ccc(OC)cc3c2C1.
|
COc1ccc2[nH]c3c(c2c1)CC([NH2+]C(C)N)CC3
|
amine
| null |
9582ea17-0dd0-422e-b075-9294d368f2e8
|
add
|
Please add a benzene ring to the molecule Fc1ccc(C2(CNC(=S)Nc3nc(Cl)cc(Sc4ncccn4)n3)CCCCC2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Fc1ccc(C2(CNC(=S)Nc3nc(Cl)cc(Sc4ncccn4)n3)CCCCC2)cc1.
|
Fc1ccc(C2(CNC(=S)Nc3nc(Cl)cc(Sc4nccc(-c5ccccc5)n4)n3)CCCCC2)cc1
|
benzene
| null |
afceadcf-5543-4fff-91c4-c3159632d3c3
|
add
|
Please add a carboxyl to the molecule CCCn1nc(C(=O)Nc2ncc[nH]2)ccc1=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCn1nc(C(=O)Nc2ncc[nH]2)ccc1=O.
|
CCCn1nc(C(=O)Nc2nc(C(=O)O)c[nH]2)ccc1=O
|
carboxyl
| null |
5c567b4a-2787-4c96-9062-81c140bb0e5c
|
add
|
Modify the molecule COc1ccc(Nc2nn3c(NCC4CC4)cc(C)nc3c2C(N)=O)cc1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(Nc2nn3c(NCC4CC4)cc(C)nc3c2C(N)=O)cc1
|
COc1ccc(Nc2nn3c(NC(c4ccccc4)C4CC4)cc(C)nc3c2C(N)=O)cc1
|
benzene
| null |
800fa180-e192-4f31-8cc2-106f646b8e84
|
add
|
Please add a benzene ring to the molecule CC(C)C(NC(=O)c1ccc(Cl)cc1-n1cnnn1)c1nc2ccccc2n1C(C)C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)C(NC(=O)c1ccc(Cl)cc1-n1cnnn1)c1nc2ccccc2n1C(C)C.
|
CC(C)C(NC(=O)c1c(-c2ccccc2)cc(Cl)cc1-n1cnnn1)c1nc2ccccc2n1C(C)C
|
benzene
| null |
7af67ad2-d8c8-4d37-b70d-8fe418975dd8
|
add
|
Modify the molecule C=[P+](CC)CC([P+](=C)CC)[P+](=C)C(O)C12CC1C(C)C(C)(O)C2C by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=[P+](CC)CC([P+](=C)CC)[P+](=C)C(O)C12CC1C(C)C(C)(O)C2C
|
C=[P+](CC([P+](=C)CC)[P+](=C)C(O)C12CC1C(C)C(C)(O)C2C)C(C)c1ccccc1
|
benzene
| null |
7ebf4760-485c-4108-846e-a14d506f94da
|
add
|
Modify the molecule CC[NH+](CC)CCNC(=O)c1cc(NC(=O)C2CC2)ccc1N1CCCC1 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC[NH+](CC)CCNC(=O)c1cc(NC(=O)C2CC2)ccc1N1CCCC1
|
CC[NH+](CC)CCNC(=O)c1cc(NC(=O)C2CC2)ccc1N1CCCC1O
|
hydroxyl
| null |
c551f2f5-09bb-4953-b891-0798edee41c8
|
add
|
Please add a aldehyde to the molecule Nc1cnc2c(C3CCCCC3)nnn2c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Nc1cnc2c(C3CCCCC3)nnn2c1.
|
Nc1cnc2c(C3CCCC(CC=O)C3)nnn2c1
|
aldehyde
| null |
359cbe52-a39a-4747-9ca3-f86d28296c94
|
add
|
Modify the molecule COc1ccc(N2CCOCC2)c2sc(C(=O)NCc3cccnc3)nc12 by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(N2CCOCC2)c2sc(C(=O)NCc3cccnc3)nc12
|
COc1ccc(N2CCOC(N)C2)c2sc(C(=O)NCc3cccnc3)nc12
|
amine
| null |
5974944d-9cba-4635-a191-f1984041cf93
|
add
|
Modify the molecule COCC1CCC[NH+](CC(O)c2ccc(C#N)cc2)C1 by adding a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COCC1CCC[NH+](CC(O)c2ccc(C#N)cc2)C1
|
COCC1CCC[NH+](CC(N)(O)c2ccc(C#N)cc2)C1
|
amine
| null |
ce7f32c8-7bd4-44e7-9895-ae54f8d444d0
|
add
|
Modify the molecule CC1=CN(C(=O)Nc2cccc(-c3nn(C4CCCCO4)c4ccc(-c5ncn(C(c6ccccc6)(c6ccccc6)c6ccccc6)n5)cc34)c2)CC=C1 by adding a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1=CN(C(=O)Nc2cccc(-c3nn(C4CCCCO4)c4ccc(-c5ncn(C(c6ccccc6)(c6ccccc6)c6ccccc6)n5)cc34)c2)CC=C1
|
CC1=CN(C(=O)Nc2cccc(-c3nn(C4CCCCO4)c4ccc(-c5ncn(C(c6ccccc6)(c6ccccc6)c6ccccc6)n5)cc34)c2CC=O)CC=C1
|
aldehyde
| null |
4f463e31-5c7f-4b1e-a5ca-34a4172eda53
|
add
|
Modify the molecule O=C(CCCN1CC[NH2+]CC1)C1CCC1 by adding a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(CCCN1CC[NH2+]CC1)C1CCC1
|
O=C(CCCN1CC[NH2+]CC1)C1(c2ccccc2)CCC1
|
benzene
| null |
467aadb5-da8a-41b0-8a97-c78a557a698c
|
add
|
Modify the molecule Cc1cc(Cl)ccc1NC(=O)CN1C(=O)COc2ccc(-c3csc(Cc4ccccc4)n3)cc21 by adding a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(Cl)ccc1NC(=O)CN1C(=O)COc2ccc(-c3csc(Cc4ccccc4)n3)cc21
|
Cc1cc(Cl)ccc1NC(=O)CN1C(=O)COc2cc(O)c(-c3csc(Cc4ccccc4)n3)cc21
|
hydroxyl
| null |
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