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 |
|---|---|---|---|---|---|---|
37b83778-7921-4d05-8f1d-607677872eb1
|
delete
|
Please remove a halo from the molecule CC(C)Cc1nn(C)c(=O)c2c(Br)n(Cc3ccc(-c4ccccc4)cc3)cc12.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)Cc1nn(C)c(=O)c2c(Br)n(Cc3ccc(-c4ccccc4)cc3)cc12.
|
CC(C)Cc1nn(C)c(=O)c2cn(Cc3ccc(-c4ccccc4)cc3)cc12
| null |
halo
|
3d24e178-f81e-4be8-a325-bad9d3e64c62
|
delete
|
Modify the molecule CCOC(=O)CN(C(=O)CC(CC)C[NH3+])C1CC1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)CN(C(=O)CC(CC)C[NH3+])C1CC1
|
CCOC(=O)C(C(CC)C[NH3+])C1CC1
| null |
amide
|
7ce8251b-6a1e-4736-921a-b50400aa2597
|
delete
|
Modify the molecule CC1(C)Cc2cc(CNc3cccc(NC(N)=O)c3)ccc2O1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1(C)Cc2cc(CNc3cccc(NC(N)=O)c3)ccc2O1
|
CC1(C)Cc2cc(CNc3cccc(NC(N)=O)c3)ccc2O1
| null |
benzene
|
3a41f162-f266-4060-9402-cb70c4ae602f
|
delete
|
Modify the molecule Nc1ncc(-c2cccc(-c3cn[nH]c3)c2)nc1C(=O)NC1C2CC3CC1CC(O)(C3)C2 by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Nc1ncc(-c2cccc(-c3cn[nH]c3)c2)nc1C(=O)NC1C2CC3CC1CC(O)(C3)C2
|
Nc1ncc(-c2cccc(-c3cn[nH]c3)c2)nc1C(=O)NC1C2CC3CC(C2)CC1C3
| null |
hydroxyl
|
ec49f244-9289-44f4-a054-3a27640fc0df
|
delete
|
Modify the molecule CCCNc1nc(C)cc(NC(C)c2ccc(F)cc2)n1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCNc1nc(C)cc(NC(C)c2ccc(F)cc2)n1
|
CCCNc1nc(C)cc(NC(C))n1
| null |
benzene
|
cffd860e-8d00-40c7-a547-ebc4c59bc99f
|
delete
|
Please remove a halo from the molecule Cc1cc(C)c2ccc3c(Br)cc(C)c4ccc1c2c43.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(C)c2ccc3c(Br)cc(C)c4ccc1c2c43.
|
Cc1ccc2ccc3c(C)cc(C)c4ccc1c2c34
| null |
halo
|
3ab71e60-eebf-4674-89d2-d9675aca0b71
|
delete
|
Please remove a benzene ring from the molecule NC(=[NH+]O)c1ccccc1CSc1ccccc1Br.
Please wrap the final SMILES in <smiles>...</smiles>.
|
NC(=[NH+]O)c1ccccc1CSc1ccccc1Br.
|
NC(=[NH+]O)c1ccccc1CSBr
| null |
benzene
|
83f294b8-5a7f-4122-8c9e-b7285da11b1e
|
delete
|
Modify the molecule COc1ccc(-c2cc(=O)nc(Nc3cc(OC)c(Cl)cc3OC)[nH]2)cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(-c2cc(=O)nc(Nc3cc(OC)c(Cl)cc3OC)[nH]2)cc1
|
COc1cc(=O)nc(Nc2cc(OC)c(Cl)cc2OC)[nH]1
| null |
benzene
|
f63455d8-103b-4ebf-8ac6-be74996ca88d
|
delete
|
Please remove a halo from the molecule Cc1nc(-c2ccncc2)c(-c2ccccc2Cl)[nH]1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1nc(-c2ccncc2)c(-c2ccccc2Cl)[nH]1.
|
Cc1nc(-c2ccncc2)c(-c2ccccc2)[nH]1
| null |
halo
|
50be3f7e-67ad-4831-8c5c-e0474cc6a24a
|
delete
|
Modify the molecule COc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1OC by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1OC
|
COc1ccc(S(=O)(=O)C(Cc2ccccc2)C(=O)N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1OC
| null |
amine
|
60420f8e-c235-4e2a-b22a-bd20109d7519
|
delete
|
Please remove a halo from the molecule COC(=O)c1csc(Cn2c(C#N)nc3cc4c(cc32)OC(F)(F)O4)c1C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)c1csc(Cn2c(C#N)nc3cc4c(cc32)OC(F)(F)O4)c1C.
|
COC(=O)c1csc(Cn2c(C#N)nc3cc4c(cc32)OC(F)O4)c1C
| null |
halo
|
000f6656-5889-43b2-919f-b73b2c65cfb1
|
delete
|
Please remove a halo from the molecule CC(C)CN(C1CC1)S(=O)(=O)c1ccc(C[NH3+])c(Cl)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)CN(C1CC1)S(=O)(=O)c1ccc(C[NH3+])c(Cl)c1.
|
CC(C)CN(C1CC1)S(=O)(=O)c1ccc(C[NH3+])cc1
| null |
halo
|
58eba152-fffa-4baf-9062-c8875096858f
|
delete
|
Modify the molecule COc1ccc(-c2nc(CC(=O)OCC(=O)NC(=O)NC(C)C)cs2)cc1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(-c2nc(CC(=O)OCC(=O)NC(=O)NC(C)C)cs2)cc1
|
COc1ccc(-c2nc(CC(=O)OC(=O)NC(C)C)cs2)cc1
| null |
amide
|
09efe4a5-9f1b-4c1e-8774-36f60f187461
|
delete
|
Modify the molecule CC(C)Oc1nc(Cl)nc(Oc2cnn(C)c2)n1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)Oc1nc(Cl)nc(Oc2cnn(C)c2)n1
|
CC(C)Oc1ncnc(Oc2cnn(C)c2)n1
| null |
halo
|
a0bc05e9-982b-4227-8197-c2138e475840
|
delete
|
Modify the molecule COc1cc(C=NNC(=O)Cc2cccs2)ccc1OCc1ccc(Cl)c(Cl)c1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1cc(C=NNC(=O)Cc2cccs2)ccc1OCc1ccc(Cl)c(Cl)c1
|
COc1cc(C=NNC(=O)Cc2cccs2)ccc1OCc1ccc(Cl)cc1
| null |
halo
|
bec7cfb4-3503-43ef-b7cf-c0a7047ab15a
|
delete
|
Modify the molecule CC(F)Oc1ccccc1-c1noc(C2CC2)c1COC1CCC(O)(c2nc3c(F)cc(C(=O)[O-])cc3s2)CC1 by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(F)Oc1ccccc1-c1noc(C2CC2)c1COC1CCC(O)(c2nc3c(F)cc(C(=O)[O-])cc3s2)CC1
|
CC(F)Oc1ccccc1-c1noc(C2CC2)c1COC1CCC(c2nc3c(F)cc(C(=O)[O-])cc3s2)CC1
| null |
hydroxyl
|
a2f555b3-75ef-424a-89f6-6df15844b873
|
delete
|
Modify the molecule O=C(CCC(=O)c1ccc(Cl)cc1)NCc1ccc(C[NH+]2CCCC2)cc1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(CCC(=O)c1ccc(Cl)cc1)NCc1ccc(C[NH+]2CCCC2)cc1
|
O=C(CCC(=O)c1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1
| null |
halo
|
87e8e6c3-db7d-443e-bb42-7bea8cc9d1ce
|
delete
|
Please remove a benzene ring from the molecule COC1(OC)C(=O)C2=C1C1=C(CCCC1)C1CC(c3ccccc3)(c3ccccc3)C21.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC1(OC)C(=O)C2=C1C1=C(CCCC1)C1CC(c3ccccc3)(c3ccccc3)C21.
|
COC1(OC)C(=O)C2=C1C1=C(CCCC1)C1CC(c3ccccc3)C21
| null |
benzene
|
321430bd-79cc-4cc7-90fa-8bbbda7d9ca4
|
delete
|
Please remove a benzene ring from the molecule CCOCC(C)OCc1ccc(C[NH2+]C2CC2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOCC(C)OCc1ccc(C[NH2+]C2CC2)cc1.
|
CCOCC(C)OCC[NH2+]C1CC1
| null |
benzene
|
335acde3-d36d-45e4-a93d-7f3c8aae5a72
|
delete
|
Modify the molecule CC(=O)N1CCC2(CC1)CC[NH+](Cc1ccoc1)C2 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=O)N1CCC2(CC1)CC[NH+](Cc1ccoc1)C2
|
c1cc(C[NH+]2CCC3(CCCC3)C2)co1
| null |
amide
|
3ce9a723-68e5-4e3b-acaf-f0bbe03f532a
|
delete
|
Please remove a amide from the molecule COC(=O)c1ccc(NC(=O)C(=O)NCC2CCN(C(=O)c3ccncc3)CC2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)c1ccc(NC(=O)C(=O)NCC2CCN(C(=O)c3ccncc3)CC2)cc1.
|
COC(=O)c1ccc(NOCC2CCN(C(=O)c3ccncc3)CC2)cc1
| null |
amide
|
60614dd7-931a-4c1a-bc20-af25cd527be0
|
delete
|
Please remove a halo from the molecule O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCc1ccccc1C[NH+]1CCCC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)NCc1ccccc1C[NH+]1CCCC1.
|
O=C(CN(c1cccc(C)c1)S(=O)(=O)c1ccccc1)NCc1ccccc1C[NH+]1CCCC1
| null |
halo
|
ff394a6c-f3cf-4e42-ab3e-7f0a427e7938
|
delete
|
Please remove a amine from the molecule CNn1ccc2ccc(N)cc21.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CNn1ccc2ccc(N)cc21.
|
Cn1ccc2ccc(N)cc21
| null |
amine
|
48070aeb-760b-4b13-b1df-76a25fc9f5de
|
delete
|
Modify the molecule NC(=O)c1c(NC(=O)COC(=O)CCc2c[nH]c3ccccc23)sc2c1CCC2 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
NC(=O)c1c(NC(=O)COC(=O)CCc2c[nH]c3ccccc23)sc2c1CCC2
|
NC(=O)c1c(OC(=O)CCc2c[nH]c3ccccc23)sc2c1CCC2
| null |
amide
|
421ad330-3dbe-40bf-a296-cf0514bdba1c
|
delete
|
Please remove a amide from the molecule COc1cc2c(cc1OCc1cc(COc3cc4c(cc3OC)C(=O)N3C5=C(CCC=C5)CC3CN4)cc(NC(=O)CNC(=O)CNC(=O)CNC(=O)CCC(C)(C)S)c1)NCC1CC3=C(C=CCC3)N1C2=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1cc2c(cc1OCc1cc(COc3cc4c(cc3OC)C(=O)N3C5=C(CCC=C5)CC3CN4)cc(NC(=O)CNC(=O)CNC(=O)CNC(=O)CCC(C)(C)S)c1)NCC1CC3=C(C=CCC3)N1C2=O.
|
COc1cc2c(cc1OCc1cc(COc3cc4c(cc3OC)C(=O)N3C5=C(CCC=C5)CC3CN4)cc(NC(=O)CNC(=O)CNC(=O)CCC(C)(C)S)c1)NCC1CC3=C(C=CCC3)N1C2=O
| null |
amide
|
60924061-1737-4919-a35c-343a99188495
|
delete
|
Please remove a benzene ring from the molecule Cc1ccc2nc(NC(=O)CN(C)C(=O)CN(C(=O)OCc3ccccc3)C3(C)CCN(C(=O)OC(C)(C)C)CC3)sc2c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc2nc(NC(=O)CN(C)C(=O)CN(C(=O)OCc3ccccc3)C3(C)CCN(C(=O)OC(C)(C)C)CC3)sc2c1.
|
COC(=O)N(CC(=O)N(C)CC(=O)Nc1nc2ccc(C)cc2s1)C1(C)CCN(C(=O)OC(C)(C)C)CC1
| null |
benzene
|
3aa5ba81-b21b-4627-9fad-b3c6f85de6c9
|
delete
|
Please remove a halo from the molecule NC(=O)OCCc1ccc(NC2CCN(C(=O)NCc3c(F)cccc3F)CC2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
NC(=O)OCCc1ccc(NC2CCN(C(=O)NCc3c(F)cccc3F)CC2)cc1.
|
NC(=O)OCCc1ccc(NC2CCN(C(=O)NCc3ccccc3)CC2)cc1
| null |
halo
|
8889a7a0-2955-4133-b2be-51a55d7c0630
|
delete
|
Modify the molecule Cc1ccccc1C(=O)C1CN(C)CCC[NH+]1C by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccccc1C(=O)C1CN(C)CCC[NH+]1C
|
CC(=O)C1CN(C)CCC[NH+]1C
| null |
benzene
|
08c0cc56-be89-468f-93ac-cdb3754f8c5d
|
delete
|
Modify the molecule Nc1cc(C(F)(F)F)cc(N2CCC([NH+]3CCCC3)C2)n1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Nc1cc(C(F)(F)F)cc(N2CCC([NH+]3CCCC3)C2)n1
|
Nc1cc(C(F)F)cc(N2CCC([NH+]3CCCC3)C2)n1
| null |
halo
|
b34addf5-1bd3-49e2-9a5a-79bc6dc3844d
|
delete
|
Modify the molecule O=C1C[NH+](Cc2ccc(-c3cnc4[nH]cc(-c5ccc6[nH]ccc6c5)c4c3)cc2)CCN1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C1C[NH+](Cc2ccc(-c3cnc4[nH]cc(-c5ccc6[nH]ccc6c5)c4c3)cc2)CCN1
|
c1cc2cc(-c3c[nH]c4ncc(-c5ccc(C[NH+]6CC6)cc5)cc34)ccc2[nH]1
| null |
amide
|
40387a37-5eec-4035-9fa4-403f62465ebf
|
delete
|
Please remove a amine from the molecule CNc1nc(Cl)nc2c1ncn2CC1C(COCOC)C1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CNc1nc(Cl)nc2c1ncn2CC1C(COCOC)C1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
|
COCOCC1C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1Cn1cnc2c(C)nc(Cl)nc21
| null |
amine
|
25f5dc2c-cdaa-411d-baf7-11fb51ab0dcc
|
delete
|
Modify the molecule CCC1CC(Nc2cccc(N3CCCC3=O)c2)CCO1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC1CC(Nc2cccc(N3CCCC3=O)c2)CCO1
|
CCC1CC(c2cccc(N3CCCC3=O)c2)CCO1
| null |
amine
|
03b4c0c9-0588-4285-8f7e-25f2afff7749
|
delete
|
Modify the molecule Cc1nc(=O)c(CC(=O)[O-])c(N)[nH]1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1nc(=O)c(CC(=O)[O-])c(N)[nH]1
|
Cc1nc(=O)c(CC(=O)[O-])c[nH]1
| null |
amine
|
10a1613b-e76c-423e-9a56-e7b9bf54f7b1
|
delete
|
Please remove a amine from the molecule O=C=NC1=CC=CN2SNC=C12.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C=NC1=CC=CN2SNC=C12.
|
O=C=NC1=CC=CN2SC=C12
| null |
amine
|
7aad1edd-d11e-4ba9-a3d9-89ec9f40580f
|
delete
|
Modify the molecule O=C([O-])CCCCNC(=O)CN1CCCCCCC1=O by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C([O-])CCCCNC(=O)CN1CCCCCCC1=O
|
O=C([O-])CCCCNC(=O)C1CCCCC1
| null |
amide
|
8211c8ca-bb8f-40ba-8a01-b1681f2a21ce
|
delete
|
Please remove a hydroxyl from the molecule CCCc1nnsc1C(=O)NCC(C)(O)CC(C)C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCc1nnsc1C(=O)NCC(C)(O)CC(C)C.
|
CCCc1nnsc1C(=O)NCC(C)CC(C)C
| null |
hydroxyl
|
7f5c2722-c872-42b5-af61-9d27718417c2
|
delete
|
Modify the molecule CCCC([NH2+]C(C)c1ccccc1Br)C(=O)[O-] by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCC([NH2+]C(C)c1ccccc1Br)C(=O)[O-]
|
CCCC([NH2+]C(C)c1ccccc1)C(=O)[O-]
| null |
halo
|
0bcc7fc1-9e74-4a41-aa18-fd9f2568a2f0
|
delete
|
Please remove a amide from the molecule C=C(C)C(=O)OCCCCC(=O)NCCOC(=O)C(=C)C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=C(C)C(=O)OCCCCC(=O)NCCOC(=O)C(=C)C.
|
C=C(C)C(=O)OCCCCCOC(=O)C(=C)C
| null |
amide
|
833e4697-25c3-4827-90c6-7cda4fa381e3
|
delete
|
Please remove a benzene ring from the molecule CC1(C)CC1C[NH2+]Cc1ccc(C(F)F)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1(C)CC1C[NH2+]Cc1ccc(C(F)F)cc1.
|
CC1(C)CC1C[NH2+]CC(F)F
| null |
benzene
|
db876724-2511-4017-a4d8-04266e24e0f5
|
delete
|
Please remove a halo from the molecule CCCC1C(=O)NC(C)(CC)C(=O)N1CCC(F)(F)F.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCC1C(=O)NC(C)(CC)C(=O)N1CCC(F)(F)F.
|
CCCC1C(=O)NC(C)(CC)C(=O)N1CCC(F)F
| null |
halo
|
f127bbb7-4835-45ec-af0e-b17db25e0ce0
|
delete
|
Please remove a hydroxyl from the molecule COC(=O)C1Cc2cc(OC)c(O)cc2N1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)C1Cc2cc(OC)c(O)cc2N1.
|
COC(=O)C1Cc2cc(OC)ccc2N1
| null |
hydroxyl
|
3e2beff3-1d7c-4528-8699-c01a27fb116a
|
delete
|
Please remove a amide from the molecule CC(C)[NH+]1CCC(=NNC(=O)CCC(=O)NCc2ccccc2)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)[NH+]1CCC(=NNC(=O)CCC(=O)NCc2ccccc2)CC1.
|
CC(C)[NH+]1CCC(=NNC(=O)CCc2ccccc2)CC1
| null |
amide
|
15a1b0e3-8a4b-47a7-9d9a-640cf771dc3c
|
delete
|
Please remove a benzene ring from the molecule O=C(c1cccc2ccccc12)N1CCCC(C(=O)N2CCCC2c2ccccc2)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(c1cccc2ccccc12)N1CCCC(C(=O)N2CCCC2c2ccccc2)C1.
|
O=C(c1cccc2ccccc12)N1CCCC(C(=O)N2CCCC2)C1
| null |
benzene
|
1cf95b72-956a-4ea2-a77d-ebc222ab5cfa
|
delete
|
Modify the molecule C[NH+]=C(NCCCSC)N1CCC(C[NH+]2CCOCC2)C1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH+]=C(NCCCSC)N1CCC(C[NH+]2CCOCC2)C1
|
C[NH+]=C(CCCSC)N1CCC(C[NH+]2CCOCC2)C1
| null |
amine
|
a3fc6ce4-09e3-4152-9d74-d6021f6bf5f8
|
delete
|
Please remove a hydroxyl from the molecule [C-]#[N+]c1ccc(OC23CCC(O)C(C)(C)C2CCC(C)C3(C)CC)c2c[nH]c(O)c12.
Please wrap the final SMILES in <smiles>...</smiles>.
|
[C-]#[N+]c1ccc(OC23CCC(O)C(C)(C)C2CCC(C)C3(C)CC)c2c[nH]c(O)c12.
|
[C-]#[N+]c1ccc(OC23CCCC(C)(C)C2CCC(C)C3(C)CC)c2c[nH]c(O)c12
| null |
hydroxyl
|
36c7f5a3-abc7-4327-83ce-bd876d9f3043
|
delete
|
Please remove a benzene ring from the molecule Cc1cccc(-c2nnc(SCC(=O)NC3CCCCCCC3)n2C)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cccc(-c2nnc(SCC(=O)NC3CCCCCCC3)n2C)c1.
|
Cc1nnc(SCC(=O)NC2CCCCCCC2)n1C
| null |
benzene
|
be56c88c-e442-4afc-ba37-d7db770a161d
|
delete
|
Please remove a benzene ring from the molecule CP(Cc1ccccc1)c1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CP(Cc1ccccc1)c1ccccc1.
|
CPCc1ccccc1
| null |
benzene
|
1749030d-89c0-4f31-8ea3-2ed4692ba2b2
|
delete
|
Modify the molecule CCOC(=O)c1ccc([N+](=O)[O-])c(NC(=O)COCCc2ccc(OCc3ccccc3)cc2)c1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)c1ccc([N+](=O)[O-])c(NC(=O)COCCc2ccc(OCc3ccccc3)cc2)c1
|
CCOC(=O)c1ccc([N+](=O)[O-])c(NC(=O)COCCOCc2ccccc2)c1
| null |
benzene
|
b68ec252-3707-4adb-a15e-1531a59b9db1
|
delete
|
Modify the molecule O=C(COc1ccccc1)N1CCCCC1c1csc(-c2ccc(C(F)(F)F)cn2)n1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(COc1ccccc1)N1CCCCC1c1csc(-c2ccc(C(F)(F)F)cn2)n1
|
O=C(CO)N1CCCCC1c1csc(-c2ccc(C(F)(F)F)cn2)n1
| null |
benzene
|
ca630e70-a47c-4cb6-aed5-c230c2d88db6
|
delete
|
Modify the molecule O=C(NC1(CCl)CCC1)C1COCCO1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(NC1(CCl)CCC1)C1COCCO1
|
CC1(NC(=O)C2COCCO2)CCC1
| null |
halo
|
461b9c43-ce72-490d-9b14-312d610f1f7d
|
delete
|
Please remove a benzene ring from the molecule O=C(COc1ccc(Cl)cc1)Nc1cc(Cl)ccn1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(COc1ccc(Cl)cc1)Nc1cc(Cl)ccn1.
|
O=C(COCl)Nc1cc(Cl)ccn1
| null |
benzene
|
70a90e2a-ff07-4f2b-98a2-f23c333f9629
|
delete
|
Modify the molecule C[NH2+]C(Cc1ccc(OC)nc1)Cc1ccccc1F by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH2+]C(Cc1ccc(OC)nc1)Cc1ccccc1F
|
C[NH2+]C(Cc1ccccc1)Cc1ccc(OC)nc1
| null |
halo
|
063a40d6-cb26-47c3-8450-cb8045654b48
|
delete
|
Modify the molecule CN(C)c1ccc(NC2=C(SCc3ccco3)C(=O)N(c3ccc(F)c(F)c3F)C2=O)cc1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN(C)c1ccc(NC2=C(SCc3ccco3)C(=O)N(c3ccc(F)c(F)c3F)C2=O)cc1
|
CN(C)c1ccc(NC2=C(SCc3ccco3)C(=O)N(c3ccc(F)cc3F)C2=O)cc1
| null |
halo
|
d343c3ed-ec42-485f-88bd-c522eca8ec2c
|
delete
|
Modify the molecule CC(C=COc1c2occc2cc2ccc(=O)oc12)CO by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C=COc1c2occc2cc2ccc(=O)oc12)CO
|
CC(C)C=COc1c2occc2cc2ccc(=O)oc12
| null |
hydroxyl
|
6fcf517d-6661-4dd7-8e16-52c7faeef7d1
|
delete
|
Please remove a amine from the molecule CC(C)C[NH+]=C(N)NCC(C(C)C)[NH+]1CCCC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)C[NH+]=C(N)NCC(C(C)C)[NH+]1CCCC1.
|
CC(C)C[NH+]=CNCC(C(C)C)[NH+]1CCCC1
| null |
amine
|
149c7b38-8216-46a8-9b3d-731925870308
|
delete
|
Modify the molecule CC1(C)CCCC2(C)c3cc(-c4cc(-c5ccc6c(c5)C5(C)CCCC(C)(C)C5(C)N6c5ccccc5)c5ccc6c(-c7cccc8ccccc78)cc(-c7ccc8c(c7)C7(C)CCCC(C)(C)C7(C)N8c7ccccc7)c7ccc4c5c76)ccc3N(c3ccccc3)C12C by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1(C)CCCC2(C)c3cc(-c4cc(-c5ccc6c(c5)C5(C)CCCC(C)(C)C5(C)N6c5ccccc5)c5ccc6c(-c7cccc8ccccc78)cc(-c7ccc8c(c7)C7(C)CCCC(C)(C)C7(C)N8c7ccccc7)c7ccc4c5c76)ccc3N(c3ccccc3)C12C
|
CC1(C)CCCC2(C)c3cc(-c4cc(-c5cccc6ccccc56)c5ccc6c(-c7ccc8c(c7)C7(C)CCCC(C)(C)C7(C)N8c7ccccc7)cc(-c7ccc8c(c7)C7(C)CCCC(C)(C)C7(C)N8c7ccccc7)c7ccc4c5c76)ccc3NC12C
| null |
benzene
|
2260285e-f02f-4649-883f-f0ca68301a2e
|
delete
|
Modify the molecule Cn1nc(NCC(=O)NC2C[NH+](C3CCC(O)(c4nccs4)CC3)C2)c2cc(C(F)(F)F)ccc21 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cn1nc(NCC(=O)NC2C[NH+](C3CCC(O)(c4nccs4)CC3)C2)c2cc(C(F)(F)F)ccc21
|
Cn1nc(NCC(=O)NC2C[NH+](C3CCC(O)(c4nccs4)CC3)C2)c2cc(C(F)F)ccc21
| null |
halo
|
7c408689-c3b5-4fc8-a069-035e4881888c
|
delete
|
Modify the molecule Cc1nc(C(C)[NH3+])n2cc(Br)ccc12 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1nc(C(C)[NH3+])n2cc(Br)ccc12
|
Cc1nc(C(C)[NH3+])n2ccccc12
| null |
halo
|
23e63441-b9b5-4610-8815-6e4258424c99
|
delete
|
Modify the molecule CCC(C)c1ccccc1NC(=O)C(C)[NH+]1CCN(C(=O)C2CCCO2)CC1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(C)c1ccccc1NC(=O)C(C)[NH+]1CCN(C(=O)C2CCCO2)CC1
|
CCC(C)NC(=O)C(C)[NH+]1CCN(C(=O)C2CCCO2)CC1
| null |
benzene
|
23a73f3b-5bf6-490f-a4d0-45c4e06431ac
|
delete
|
Modify the molecule O=C([O-])CN1CC(=O)N(c2ccc(Cl)cc2)C1=O by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C([O-])CN1CC(=O)N(c2ccc(Cl)cc2)C1=O
|
O=C([O-])CN1CC(=O)N(Cl)C1=O
| null |
benzene
|
7916be32-1e60-4751-9ce5-fb90cdeec3f0
|
delete
|
Please remove a benzene ring from the molecule COC(=O)C1CCC[NH+](CCc2ccccc2[N+](=O)[O-])C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)C1CCC[NH+](CCc2ccccc2[N+](=O)[O-])C1.
|
COC(=O)C1CCC[NH+](CC[N+](=O)[O-])C1
| null |
benzene
|
1dc7a03e-57a0-4117-a7e4-7436d5556cf2
|
delete
|
Please remove a amide from the molecule CCN(CC1CCC[NH2+]1)c1ccc(C(=O)N(C)C)nn1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCN(CC1CCC[NH2+]1)c1ccc(C(=O)N(C)C)nn1.
|
CCN(CC1CCC[NH2+]1)c1cc-n(CC)n1
| null |
amide
|
1dea7c42-135a-452e-b04f-e55de0ad188c
|
delete
|
Please remove a amine from the molecule O=C([O-])C1(CS(=O)(=O)NCC2CC2)CCCCC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C([O-])C1(CS(=O)(=O)NCC2CC2)CCCCC1.
|
O=C([O-])C1(CS(=O)(=O)CC2CC2)CCCCC1
| null |
amine
|
71f2cc21-0fc9-4d4d-842b-882f8c1c743f
|
delete
|
Modify the molecule C=S1CC(CC=O)=C(C)N2C(=O)C(NP)C21 by removing a aldehyde.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=S1CC(CC=O)=C(C)N2C(=O)C(NP)C21
|
C=S1CC=C(C)N2C(=O)C(NP)C21
| null |
aldehyde
|
6b42e624-21d3-477c-843e-e93296eb4090
|
delete
|
Please remove a benzene ring from the molecule O=C([O-])c1c(Br)nnn1Cc1cccc(F)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C([O-])c1c(Br)nnn1Cc1cccc(F)c1.
|
O=C([O-])c1c(Br)nnn1CF
| null |
benzene
|
c1238a9f-dc3f-4493-9b3a-a75d1a4ef95c
|
delete
|
Please remove a benzene ring from the molecule CC12CCC3c4ccc(OCc5ccccc5)cc4CCC3C1C(C(=O)[O-])CO2.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC12CCC3c4ccc(OCc5ccccc5)cc4CCC3C1C(C(=O)[O-])CO2.
|
COc1ccc2c(c1)CCC1C2CCC2(C)OCC(C(=O)[O-])C12
| null |
benzene
|
e13c7f7c-fd25-4392-80cf-a2f80dcc2180
|
delete
|
Please remove a hydroxyl from the molecule CCn1c(O)c2c(c1O)CCCC2.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCn1c(O)c2c(c1O)CCCC2.
|
CCn1cc2c(c1O)CCCC2
| null |
hydroxyl
|
d7a52a53-69c5-45e3-ab28-550f4f6fa837
|
delete
|
Modify the molecule COc1nn(C)c(F)c1C(F)(F)F by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1nn(C)c(F)c1C(F)(F)F
|
COc1nn(C)c(F)c1C(F)F
| null |
halo
|
b54f10bc-821a-4c9c-b4d9-3269b8eac38b
|
delete
|
Please remove a halo from the molecule [NH3+]C1C2CC3(F)CC1CC(F)(C2)C3.
Please wrap the final SMILES in <smiles>...</smiles>.
|
[NH3+]C1C2CC3(F)CC1CC(F)(C2)C3.
|
[NH3+]C1C2CC3CC1CC(C2)C3
| null |
halo
|
e4e557cc-f4b5-451c-aeaa-90b92d500d77
|
delete
|
Please remove a benzene ring from the molecule Cc1cc(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)n(-c2ccc([N+](=O)[O-])cc2)n1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)n(-c2ccc([N+](=O)[O-])cc2)n1.
|
Cc1cc(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)n([N+](=O)[O-])n1
| null |
benzene
|
1fcaf9c2-5f58-4851-8510-88de2ea14404
|
delete
|
Modify the molecule COc1ccc(CNC(=O)c2cc(N(C)C3CCCCC3)nc3ccccc23)cc1OC by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(CNC(=O)c2cc(N(C)C3CCCCC3)nc3ccccc23)cc1OC
|
COC(NC(=O)c1cc(N(C)C2CCCCC2)nc2ccccc12)OC
| null |
benzene
|
80b00ff4-2959-48e5-820d-bbf2daa998a7
|
delete
|
Please remove a hydroxyl from the molecule CCCC1CCN(C(=O)C(C(N)=[NH+]O)C(C)C)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCC1CCN(C(=O)C(C(N)=[NH+]O)C(C)C)CC1.
|
CCCC1CCN(C(=O)C(C(=[NH+])N)C(C)C)CC1
| null |
hydroxyl
|
de6ff071-153a-4d1f-a67f-027ea56f7884
|
delete
|
Please remove a amine from the molecule Cc1ccc(CCNS(=O)(=O)c2ccc(F)cc2F)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(CCNS(=O)(=O)c2ccc(F)cc2F)cc1.
|
Cc1ccc(CCS(=O)(=O)c2ccc(F)cc2F)cc1
| null |
amine
|
bd5491e0-5be0-49c6-8a4e-7c25759de66b
|
delete
|
Modify the molecule N#CCCCn1c(CN2C(=O)C3(CCN(C(=O)OC4CC4)CC3)c3ccncc32)cc2cc(Cl)ccc21 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
N#CCCCn1c(CN2C(=O)C3(CCN(C(=O)OC4CC4)CC3)c3ccncc32)cc2cc(Cl)ccc21
|
N#CCCCn1c(CC2CN(C(=O)OC3CC3)CC2c2ccncc2)cc2cc(Cl)ccc21
| null |
amide
|
4fe01c3c-11b1-4ea0-9f28-6d678c30724c
|
delete
|
Modify the molecule Cc1cc(-c2cccc(C(=O)N3CC4CCC(C3)C(=O)N4)c2)c(=O)[nH]c1C by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(-c2cccc(C(=O)N3CC4CCC(C3)C(=O)N4)c2)c(=O)[nH]c1C
|
Cc1cc(C(=O)N2CC3CCC(C2)C(=O)N3)c(=O)[nH]c1C
| null |
benzene
|
0ab75c73-72b4-446b-ae65-cfe21070ed74
|
delete
|
Modify the molecule COC1CCC(OC2OC(C(=O)[O-])C(OC3OC(C(=O)[O-])C(OC4OC(C(=O)[O-])C(OC5OC(C(=O)[O-])C(OC6OC(O)C(OC)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C1O by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC1CCC(OC2OC(C(=O)[O-])C(OC3OC(C(=O)[O-])C(OC4OC(C(=O)[O-])C(OC5OC(C(=O)[O-])C(OC6OC(O)C(OC)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O)C(O)C2O)C(O)C1O
|
COC1CCC(OC2OC(C(=O)[O-])C(OC3CC(O)C(OC4OC(C(=O)[O-])C(OC5OC(C(=O)[O-])C(OC6OC(O)C(OC)C(O)C6O)C(O)C5O)C(O)C4O)C(C(=O)[O-])O3)C(O)C2O)C(O)C1O
| null |
hydroxyl
|
cdf70f8d-270c-4226-acba-4f12127432a4
|
delete
|
Please remove a amide from the molecule CC(C)(C)C=CC(=O)Nc1ccc(Cl)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(C)C=CC(=O)Nc1ccc(Cl)cc1.
|
CC(C)(C)Cc1ccc(Cl)cc1
| null |
amide
|
bd8f38a2-99dc-4165-98bb-81697b768232
|
delete
|
Please remove a halo from the molecule O=[N+]([O-])c1ccc(CC(Br)c2cccc(I)c2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=[N+]([O-])c1ccc(CC(Br)c2cccc(I)c2)cc1.
|
O=[N+]([O-])c1ccc(CCc2cccc(I)c2)cc1
| null |
halo
|
ebf1a2cb-75c8-469c-86fe-8c5144edc46f
|
delete
|
Modify the molecule CC(Cc1ccc(Cl)cc1)[NH2+]CC1(C)CCC1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(Cc1ccc(Cl)cc1)[NH2+]CC1(C)CCC1
|
CC(CCl)[NH2+]CC1(C)CCC1
| null |
benzene
|
affbf151-2f97-4fea-a0b0-ea1cdd1a6b57
|
delete
|
Modify the molecule Cc1cc(S(=O)(=O)Cl)n(-c2ccc(Cl)cc2)n1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(S(=O)(=O)Cl)n(-c2ccc(Cl)cc2)n1
|
Cc1cc(S(=O)(=O)Cl)n(Cl)n1
| null |
benzene
|
18f8e120-7983-4175-a715-52a586fd0e52
|
delete
|
Modify the molecule Cc1ccc(-c2nc3ccc(Cl)cn3c2CN2CCC[NH2+]CC2)cc1C by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(-c2nc3ccc(Cl)cn3c2CN2CCC[NH2+]CC2)cc1C
|
CCc1nc2ccc(Cl)cn2c1CN1CCC[NH2+]CC1
| null |
benzene
|
4496f585-f7f2-47c8-b21c-080230ce307b
|
delete
|
Modify the molecule COc1cccc(C=NNC(=O)Cc2ccccc2[N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1 by removing a nitro.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1cccc(C=NNC(=O)Cc2ccccc2[N+](=O)[O-])c1OCc1cccc(C(=O)[O-])c1
|
COc1cccc(C=NNC(=O)Cc2ccccc2)c1OCc1cccc(C(=O)[O-])c1
| null |
nitro
|
bad72acf-3c4c-4be9-8aee-a3e19ead456a
|
delete
|
Modify the molecule CCC1(CC)c2cc(C=Cc3ccc(-c4ccc(-c5ccccc5)cc4-c4ccccc4-c4ccccc4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC1(CC)c2cc(C=Cc3ccc(-c4ccc(-c5ccccc5)cc4-c4ccccc4-c4ccccc4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21
|
CCC1(CC)c2cc(C=Cc3ccc(-c4ccc(-c5ccccc5)cc4-c4ccccc4-c4ccccc4)cc3)ccc2-c2ccc(Nc3ccccc3)cc21
| null |
benzene
|
66dfce64-ed77-4385-9b7f-160762ac089f
|
delete
|
Modify the molecule CCCCn1nc2n(Cc3ccc(CC)cc3)c(=O)c3sccc3n2c1=O by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCn1nc2n(Cc3ccc(CC)cc3)c(=O)c3sccc3n2c1=O
|
CCCCn1nc2n(CCC)c(=O)c3sccc3n2c1=O
| null |
benzene
|
fb08e8af-1c90-43fb-a1f6-a98d656816ee
|
delete
|
Modify the molecule C#CCC1(CC=C)C(=O)CCCC1O by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C#CCC1(CC=C)C(=O)CCCC1O
|
C#CCC1(CC=C)CCCCC1=O
| null |
hydroxyl
|
6870321f-f44f-49b1-b291-c112f972ae04
|
delete
|
Modify the molecule Cc1c(NS(=O)(=O)c2ccc(CCCC3CC[NH+](C)CC3)cc2)c(CC2CC2)nn1C by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1c(NS(=O)(=O)c2ccc(CCCC3CC[NH+](C)CC3)cc2)c(CC2CC2)nn1C
|
Cc1c(S(=O)(=O)c2ccc(CCCC3CC[NH+](C)CC3)cc2)c(CC2CC2)nn1C
| null |
amine
|
7c3a5e09-d67d-4a8c-b975-2930fef20fdd
|
delete
|
Please remove a halo from the molecule CC#CCC(Cc1ccc(Cl)cc1)[NH2+]C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC#CCC(Cc1ccc(Cl)cc1)[NH2+]C.
|
CC#CCC(Cc1ccccc1)[NH2+]C
| null |
halo
|
3f792d27-ae07-41b3-b4f6-f363c2700bf8
|
delete
|
Please remove a amine from the molecule NC(=O)c1cccnc1NC1CCCc2ccccc21.
Please wrap the final SMILES in <smiles>...</smiles>.
|
NC(=O)c1cccnc1NC1CCCc2ccccc21.
|
NC(=O)c1cccnc1C1CCCc2ccccc21
| null |
amine
|
0c071823-9657-4761-adc2-88eb3c01972c
|
delete
|
Modify the molecule FC1CCC2SC1CCC2F by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
FC1CCC2SC1CCC2F
|
FC1CCC2CCCC1S2
| null |
halo
|
363a672a-0f36-4033-ab92-6b1338009fd9
|
delete
|
Please remove a halo from the molecule Cc1ccc(CN(C2CC2)S(=O)(=O)CCl)o1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(CN(C2CC2)S(=O)(=O)CCl)o1.
|
Cc1ccc(CN(C2CC2)S(C)(=O)=O)o1
| null |
halo
|
87173907-9bef-4821-aba4-a3c7adb74f38
|
delete
|
Modify the molecule CCCN1C[NH+](CCC)C=C2NC(c3ccc(OCC#Cc4cccc(F)c4)cc3)[NH+]=C21 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCN1C[NH+](CCC)C=C2NC(c3ccc(OCC#Cc4cccc(F)c4)cc3)[NH+]=C21
|
CCCN1C[NH+](CCC)C=C2NC(c3ccc(OCC#Cc4cccc(F)c4)cc3)C21
| null |
amine
|
17a6a1b8-899c-4ec9-a319-b69aa3d81d92
|
delete
|
Please remove a hydroxyl from the molecule CC(C#Cc1cccc(Oc2cccc(Cl)n2)c1)N(O)C(N)=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C#Cc1cccc(Oc2cccc(Cl)n2)c1)N(O)C(N)=O.
|
CC(C#Cc1cccc(Oc2cccc(Cl)n2)c1)NC(N)=O
| null |
hydroxyl
|
30f07be3-0241-4bb3-8b88-4e8d57bb1624
|
delete
|
Modify the molecule CC1=C(O[Si](C)(C)C(C)(C)C)CCCCC(c2ccccc2)=C1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1=C(O[Si](C)(C)C(C)(C)C)CCCCC(c2ccccc2)=C1
|
CC1=C(O[Si](C)(C)C(C)(C)C)CCCCC=C1
| null |
benzene
|
f98f0927-d296-4c6a-b354-7a5c64b6a6a6
|
delete
|
Modify the molecule CC(C)(C)OC(=O)[N-]C(=O)C1CC(F)(F)CN1C(C)(C)C by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(C)OC(=O)[N-]C(=O)C1CC(F)(F)CN1C(C)(C)C
|
CC(C)(C)OC(=O)[N-]C(=O)C1CC(F)CN1C(C)(C)C
| null |
halo
|
475e034f-90ec-44ef-82c5-d1654f130ba1
|
delete
|
Modify the molecule C[NH2+]CCNC(=O)C1=CC=C(C2=CNC(=C(C(N)=[NH2+])c3ccccn3)N=C2)CC1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH2+]CCNC(=O)C1=CC=C(C2=CNC(=C(C(N)=[NH2+])c3ccccn3)N=C2)CC1
|
C[NH2+]CCNC(=O)C1=CC=C(C2=CNC(=C(CN)c3ccccn3)N=C2)CC1
| null |
amine
|
1f56159c-d358-4e5e-8c8a-11e28dfcf575
|
delete
|
Please remove a amine from the molecule CCOC(=O)c1c(NC(=CC(=O)c2ccccc2)C(=O)N2CCCCC2)sc2c1CCCC2.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)c1c(NC(=CC(=O)c2ccccc2)C(=O)N2CCCCC2)sc2c1CCCC2.
|
CCOC(=O)c1c(C(=CC(=O)c2ccccc2)C(=O)N2CCCCC2)sc2c1CCCC2
| null |
amine
|
9d2e625a-f7ce-4542-b1c1-bc3cd711dbbc
|
delete
|
Please remove a halo from the molecule Cc1cc(C(=O)Nc2cc(F)ccc2C)ccc1NC(=O)C[NH+]1CCC(C(=O)NC(C(=O)Nc2ccc(C(=O)N3CCCC3)c(Cl)c2)C(C)C)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(C(=O)Nc2cc(F)ccc2C)ccc1NC(=O)C[NH+]1CCC(C(=O)NC(C(=O)Nc2ccc(C(=O)N3CCCC3)c(Cl)c2)C(C)C)CC1.
|
Cc1cc(C(=O)Nc2ccccc2C)ccc1NC(=O)C[NH+]1CCC(C(=O)NC(C(=O)Nc2ccc(C(=O)N3CCCC3)c(Cl)c2)C(C)C)CC1
| null |
halo
|
bebfde1b-0153-44c3-9ad7-2e1630b1aa22
|
delete
|
Modify the molecule COCCC(C)(C)C[NH2+]Cc1cccc(Br)c1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COCCC(C)(C)C[NH2+]Cc1cccc(Br)c1
|
COCCC(C)(C)C[NH2+]Cc1ccccc1
| null |
halo
|
736a1779-a8d5-46e8-9f9d-6075736aee4c
|
delete
|
Modify the molecule CN1C(=O)COC2CCN(C(=O)CCCn3cncn3)CCC21 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN1C(=O)COC2CCN(C(=O)CCCn3cncn3)CCC21
|
CN1C(=O)COC2CCC(CCn3cncn3)CC21
| null |
amide
|
dd526974-4945-43f2-8b2f-d3562bf61d3c
|
delete
|
Please remove a benzene ring from the molecule c1cc(C2CC2)ccc1CCC[NH+]1CCCC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
c1cc(C2CC2)ccc1CCC[NH+]1CCCC1.
|
[NH+]1CCCC1
| null |
benzene
|
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