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 |
|---|---|---|---|---|---|---|
0def4790-bdb5-4ea3-89d5-552795a4f425
|
delete
|
Modify the molecule CC1CN(CC(=O)NC2CCCC2)CC(C)[NH2+]1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1CN(CC(=O)NC2CCCC2)CC(C)[NH2+]1
|
CC1CN(C2CCCC2)CC(C)[NH2+]1
| null |
amide
|
9562a282-ddf5-434d-b4b3-c9ec0cdb27d8
|
delete
|
Modify the molecule COc1ccc(Cl)c(C(F)(F)F)c1N by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(Cl)c(C(F)(F)F)c1N
|
COc1cccc(C(F)(F)F)c1N
| null |
halo
|
939d6c6c-c3d8-486a-8084-d1c6354fbbdf
|
delete
|
Modify the molecule O=C(Nc1ccccc1Cc1ccccc1)N(Cc1ccncc1)Cc1cccnc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(Nc1ccccc1Cc1ccccc1)N(Cc1ccncc1)Cc1cccnc1
|
O=C(NCc1ccccc1)N(Cc1ccncc1)Cc1cccnc1
| null |
benzene
|
c115ffe9-b224-4a70-8a51-b905be6cc368
|
delete
|
Modify the molecule CCN1c2cc(C(F)(F)F)ccc2CC1CC(C)O by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCN1c2cc(C(F)(F)F)ccc2CC1CC(C)O
|
CCN1c2cc(C(F)F)ccc2CC1CC(C)O
| null |
halo
|
4159e951-4bf0-4140-8203-16b0b0ab5f84
|
delete
|
Please remove a benzene ring from the molecule CCOc1ccc(CC)cc1CCC(=O)c1c(OCC)ccc(OCC)c1OCC.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOc1ccc(CC)cc1CCC(=O)c1c(OCC)ccc(OCC)c1OCC.
|
CCOc1ccc(OCC)c(C(=O)CC(CC)OCC)c1OCC
| null |
benzene
|
7bf136fd-062f-43af-8a76-68fd9167e254
|
delete
|
Modify the molecule CCc1nnc2nc(N)nc(N)c2n1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1nnc2nc(N)nc(N)c2n1
|
CCc1nnc2nc(N)ncc2n1
| null |
amine
|
200e8a4d-bcce-4356-ae2c-2bff33837c24
|
delete
|
Please remove a amide from the molecule Cc1cccc(NC(=O)CCCc2c[nH]c3ccccc23)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cccc(NC(=O)CCCc2c[nH]c3ccccc23)c1.
|
Cc1cccc(CCc2c[nH]c3ccccc23)c1
| null |
amide
|
0f2dd5d2-bb31-4886-9f4b-3362cd50c19c
|
delete
|
Please remove a halo from the molecule CCC1CCCC(Oc2c(F)cccc2C(C)[NH3+])C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC1CCCC(Oc2c(F)cccc2C(C)[NH3+])C1.
|
CCC1CCCC(Oc2ccccc2C(C)[NH3+])C1
| null |
halo
|
45cabc5d-f287-4d5d-8fa8-45e844175068
|
delete
|
Please remove a halo from the molecule CCCC[NH+](CCCC)Cc1nc(-c2ncn3c2C2CCCN2C(=O)c2c(Cl)cccc2-3)no1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCC[NH+](CCCC)Cc1nc(-c2ncn3c2C2CCCN2C(=O)c2c(Cl)cccc2-3)no1.
|
CCCC[NH+](CCCC)Cc1nc(-c2ncn3c2C2CCCN2C(=O)c2ccccc2-3)no1
| null |
halo
|
cac37a3b-e003-4c1e-b266-284596010163
|
delete
|
Modify the molecule CCc1nn(C)cc1Nc1ccc(C(F)(F)F)cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1nn(C)cc1Nc1ccc(C(F)(F)F)cc1
|
CCc1nn(C)cc1NC(F)(F)F
| null |
benzene
|
037efc8e-8a67-4d40-9781-4aebb5fdda1c
|
delete
|
Modify the molecule CCC(C)CN(C)C(=O)c1n[nH]c(C(C)C)c1S(=O)(=O)Cl by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(C)CN(C)C(=O)c1n[nH]c(C(C)C)c1S(=O)(=O)Cl
|
CCC(C)C(C)n1[nH]c(C(C)C)c-1S(=O)(=O)Cl
| null |
amide
|
643269e4-d3f4-4a77-b8ec-94c0b580bbc1
|
delete
|
Please remove a hydroxyl from the molecule C[NH2+]C(C)(C)C(O)C1=CCCO1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH2+]C(C)(C)C(O)C1=CCCO1.
|
C[NH2+]C(C)(C)CC1=CCCO1
| null |
hydroxyl
|
19f1a208-eba8-416b-86f7-5f14c561d912
|
delete
|
Modify the molecule CC([NH2+]C1CCCCN(C(=O)OC(C)(C)C)C1)c1cccc(Cl)c1Cl by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC([NH2+]C1CCCCN(C(=O)OC(C)(C)C)C1)c1cccc(Cl)c1Cl
|
CC(Cl)(Cl)[NH2+]C1CCCCN(C(=O)OC(C)(C)C)C1
| null |
benzene
|
80968d87-dcdf-4c74-b719-3d8b0445b8ae
|
delete
|
Modify the molecule Cc1ccc(NC(=S)NCc2ccco2)c(Br)c1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(NC(=S)NCc2ccco2)c(Br)c1
|
Cc1ccc(C(=S)NCc2ccco2)c(Br)c1
| null |
amine
|
62a6adbd-a274-4334-9aa0-ecb7bcd3fe19
|
delete
|
Modify the molecule Cc1ccncc1CNC(=O)CC1C[NH2+]C1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccncc1CNC(=O)CC1C[NH2+]C1
|
Cc1ccncc1CC1C[NH2+]C1
| null |
amide
|
4b731439-0db5-4c75-9d21-69512860ede4
|
delete
|
Please remove a benzene ring from the molecule Cc1ccc(-c2noc(CCNC(=O)Cc3ccccc3)n2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(-c2noc(CCNC(=O)Cc3ccccc3)n2)cc1.
|
Cc1noc(CCNC(=O)Cc2ccccc2)n1
| null |
benzene
|
c8b035ae-4c99-4da7-9fd4-499484a8ac9c
|
delete
|
Please remove a halo from the molecule C[NH+](C)CCn1ncc(Br)c1C(=O)c1csc(Br)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH+](C)CCn1ncc(Br)c1C(=O)c1csc(Br)c1.
|
C[NH+](C)CCn1ncc(Br)c1C(=O)c1ccsc1
| null |
halo
|
88492b51-e902-4432-bb98-a6a6cdab40ff
|
delete
|
Please remove a amide from the molecule NC(=O)C(CCC(F)(F)F)C(CC1CC1)C(=O)NC1N=C(c2ccccc2)c2cccc3c2N(CC(F)(F)CO3)C1=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
NC(=O)C(CCC(F)(F)F)C(CC1CC1)C(=O)NC1N=C(c2ccccc2)c2cccc3c2N(CC(F)(F)CO3)C1=O.
|
O=C(NC1N=C(c2ccccc2)c2cccc3c2N(CC(F)(F)CO3)C1=O)C(CCC(F)(F)F)CC1CC1
| null |
amide
|
e060d37d-3d84-40da-a497-f818945a2406
|
delete
|
Modify the molecule COCCC(C)Nc1cc(C)[nH+]cc1C(=O)[O-] by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COCCC(C)Nc1cc(C)[nH+]cc1C(=O)[O-]
|
COCCC(C)c1cc(C)[nH+]cc1C(=O)[O-]
| null |
amine
|
40502daf-7530-4d76-9461-a6d8efa0fe2c
|
delete
|
Please remove a carboxyl from the molecule O=C(C[n+]1ccc(SCC2=C(C(=O)O)N3C(=O)C(NC(=O)CSc4cc(Cl)ccc4Cl)C3SC2)cc1)NC(CO)C(=O)O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(C[n+]1ccc(SCC2=C(C(=O)O)N3C(=O)C(NC(=O)CSc4cc(Cl)ccc4Cl)C3SC2)cc1)NC(CO)C(=O)O.
|
O=C(C[n+]1ccc(SCC2=C(C(=O)O)N3C(=O)C(NC(=O)CSc4cc(Cl)ccc4Cl)C3SC2)cc1)NCCO
| null |
carboxyl
|
0e6e65f0-cb90-4cc3-9e76-15e7863857f9
|
delete
|
Modify the molecule CCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2cc(C)ccc2C)cc1Br by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOc1ccc(C(=O)NNC(=O)CCC(=O)Nc2cc(C)ccc2C)cc1Br
|
CCNC(=O)CCC(=O)NNC(=O)c1ccc(OCC)c(Br)c1
| null |
benzene
|
ab24ed6e-04d8-46f3-a840-513683bfff14
|
delete
|
Modify the molecule CC(C)Cn1c(=O)n(C)c(=O)c2c(-c3ccccc3)n(Cc3cccc4ccccc34)nc21 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)Cn1c(=O)n(C)c(=O)c2c(-c3ccccc3)n(Cc3cccc4ccccc34)nc21
|
CC(C)Cn1c(=O)n(C)c(=O)c2cn(Cc3cccc4ccccc34)nc21
| null |
benzene
|
20812e45-58ff-40b3-8989-79d101854a5a
|
delete
|
Modify the molecule N#Cc1ccc2nnc(C3CCC(F)(F)C3)n2c1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
N#Cc1ccc2nnc(C3CCC(F)(F)C3)n2c1
|
N#Cc1ccc2nnc(C3CCC(F)C3)n2c1
| null |
halo
|
faf6843f-a962-4447-a221-3ec9f8361440
|
delete
|
Please remove a benzene ring from the molecule Fc1cc(Br)cnc1OCCCc1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Fc1cc(Br)cnc1OCCCc1ccccc1.
|
CCCOc1ncc(Br)cc1F
| null |
benzene
|
b7be7186-161d-4d77-a269-19fb9f8db1a0
|
delete
|
Please remove a hydroxyl from the molecule CC1CCC(C(C)C)C([NH+](Cc2ccc(O)c(C[NH+](C3CC(C)CCC3C(C)C)C3CC(C)CCC3C(C)C)c2C[NH+](C2CC(C)CCC2C(C)C)C2CC(C)CCC2C(C)C)C2CC(C)CCC2C(C)C)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1CCC(C(C)C)C([NH+](Cc2ccc(O)c(C[NH+](C3CC(C)CCC3C(C)C)C3CC(C)CCC3C(C)C)c2C[NH+](C2CC(C)CCC2C(C)C)C2CC(C)CCC2C(C)C)C2CC(C)CCC2C(C)C)C1.
|
CC1CCC(C(C)C)C([NH+](Cc2cccc(C[NH+](C3CC(C)CCC3C(C)C)C3CC(C)CCC3C(C)C)c2C[NH+](C2CC(C)CCC2C(C)C)C2CC(C)CCC2C(C)C)C2CC(C)CCC2C(C)C)C1
| null |
hydroxyl
|
13dd2526-4d2f-45ef-85be-f2fe33a6649f
|
delete
|
Please remove a halo from the molecule Cn1c(SCc2nc3ccccc3c(=O)n2CC#N)nnc1-c1ccc(F)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cn1c(SCc2nc3ccccc3c(=O)n2CC#N)nnc1-c1ccc(F)cc1.
|
Cn1c(SCc2nc3ccccc3c(=O)n2CC#N)nnc1-c1ccccc1
| null |
halo
|
b993f452-b5d0-4c55-879e-8d138deb399f
|
delete
|
Modify the molecule C=CC([NH+]=C(C(C(=C)C)=C(C=NC)C1CC1)N1CC[NH2+]CC1)=c1ccnc2c1=CC(c1ccccc1OC)=N2 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=CC([NH+]=C(C(C(=C)C)=C(C=NC)C1CC1)N1CC[NH2+]CC1)=c1ccnc2c1=CC(c1ccccc1OC)=N2
|
C=CC(=c1ccnc2c1=CC(c1ccccc1OC)=N2)C(C(C(=C)C)=C(C=NC)C1CC1)N1CC[NH2+]CC1
| null |
amine
|
873c1942-b443-4105-ad4f-6ddcecd6cf87
|
delete
|
Please remove a hydroxyl from the molecule CC(O)C(C)(C)[NH2+]Cc1c[nH]c2cc(Cl)ccc12.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(O)C(C)(C)[NH2+]Cc1c[nH]c2cc(Cl)ccc12.
|
CCC(C)(C)[NH2+]Cc1c[nH]c2cc(Cl)ccc12
| null |
hydroxyl
|
0fc07171-f991-48d1-bb6d-9c37fbfbc9df
|
delete
|
Modify the molecule O=C([O-])C(O)(CSCc1ccccc1)CS(=O)(=O)c1cc(Cl)ccc1-c1ccccc1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C([O-])C(O)(CSCc1ccccc1)CS(=O)(=O)c1cc(Cl)ccc1-c1ccccc1
|
O=C([O-])C(O)(CSCc1ccccc1)CS(=O)(=O)c1ccccc1-c1ccccc1
| null |
halo
|
dc4ef4e6-4131-4e1e-a564-d2c4453adb57
|
delete
|
Please remove a halo from the molecule COc1ccccc1N(CC(=O)NCC1CC1)S(=O)(=O)c1cc(Cl)ccc1Cl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccccc1N(CC(=O)NCC1CC1)S(=O)(=O)c1cc(Cl)ccc1Cl.
|
COc1ccccc1N(CC(=O)NCC1CC1)S(=O)(=O)c1ccccc1Cl
| null |
halo
|
52545c5d-f01f-4da9-8fe3-132cc5a9cee1
|
delete
|
Modify the molecule COc1cccc(CNC(=O)C(=O)Nc2nccs2)c1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1cccc(CNC(=O)C(=O)Nc2nccs2)c1
|
COc1cccc(CNOc2nccs2)c1
| null |
amide
|
6716d7b3-7df6-4a71-8867-c42520dfb247
|
delete
|
Modify the molecule COc1ccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)cc1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(-n2c(CCc3c[nH]c4ccc(Br)cc34)nc3ccccc3c2=O)cc1
|
COc1ccc(-n2c(CCc3c[nH]c4ccccc34)nc3ccccc3c2=O)cc1
| null |
halo
|
151ae50c-3383-4bfa-be61-096588f740fd
|
delete
|
Modify the molecule CC(C)(C)OC(=O)N1CCC(c2cccc(OCc3cccnc3)c2)=C(C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)C1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(C)OC(=O)N1CCC(c2cccc(OCc3cccnc3)c2)=C(C(=O)N(Cc2cccc(Cl)c2Cl)C2CC2)C1
|
CC(C)(C)OC(=O)N1CCC(c2cccc(OCc3cccnc3)c2)=C(C(=O)N(Cc2ccccc2Cl)C2CC2)C1
| null |
halo
|
e076313c-a67c-4114-9e15-dee05b00093c
|
delete
|
Please remove a benzene ring from the molecule CCCC(=O)N(Cc1ccc(Cl)cc1)C(C)C(=O)NCc1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCC(=O)N(Cc1ccc(Cl)cc1)C(C)C(=O)NCc1ccccc1.
|
CCCC(=O)N(Cc1ccc(Cl)cc1)C(C)C(=O)NC
| null |
benzene
|
80acd3fe-805d-4265-8842-9190bba90f73
|
delete
|
Modify the molecule CSc1nc(C2CC2)cc(C(=O)OC(C)C(=O)NC2CC2)c1C#N by removing a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CSc1nc(C2CC2)cc(C(=O)OC(C)C(=O)NC2CC2)c1C#N
|
CSc1cc(C(=O)OC(C)C(=O)NC2CC2)cc(C2CC2)n1
| null |
nitrile
|
bfe27c3c-f037-4e5f-a8ff-614dbbc3afd3
|
delete
|
Modify the molecule COc1ccc(CC(=O)NC2C[NH2+]Cc3ccccc32)cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(CC(=O)NC2C[NH2+]Cc3ccccc32)cc1
|
COCC(=O)NC1C[NH2+]Cc2ccccc21
| null |
benzene
|
0e162b06-abd7-4cf8-a5cd-3dc3cb628a6a
|
delete
|
Modify the molecule Cc1nnc(-n2ccc(C(C)C)n2)c(C(N)=S)c1C by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1nnc(-n2ccc(C(C)C)n2)c(C(N)=S)c1C
|
Cc1nnc(-n2ccc(C(C)C)n2)c(C=S)c1C
| null |
amine
|
4f1d1663-4929-496a-9fe9-bcc12d5fa5bf
|
delete
|
Please remove a benzene ring from the molecule O=C(COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCc1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCc1ccccc1.
|
CCNC(=O)COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O
| null |
benzene
|
9d0bb432-1abf-4ade-ab91-896f5497e1e0
|
delete
|
Please remove a halo from the molecule Cc1cc(SC(c2cccc(C(F)(F)F)c2)c2cccc3cn[nH]c23)ccc1OCC(=O)[O-].
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(SC(c2cccc(C(F)(F)F)c2)c2cccc3cn[nH]c23)ccc1OCC(=O)[O-].
|
Cc1cc(SC(c2cccc(C(F)F)c2)c2cccc3cn[nH]c23)ccc1OCC(=O)[O-]
| null |
halo
|
6dadb22f-22a1-4bcf-b09b-c2d3bc338095
|
delete
|
Modify the molecule O=C(c1cncc(Br)c1)c1cccc(N2CCC([NH+]3CCCC3)CC2)n1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(c1cncc(Br)c1)c1cccc(N2CCC([NH+]3CCCC3)CC2)n1
|
O=C(c1cccnc1)c1cccc(N2CCC([NH+]3CCCC3)CC2)n1
| null |
halo
|
b4ba3b0e-77c1-4d09-b306-ee30597f8a62
|
delete
|
Modify the molecule CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1
|
CCCN(CCC)S(=O)(=O)C(=O)Nc1cc(C)cc(C)c1
| null |
benzene
|
3bdfeb25-a326-43c4-adcc-99a368b7a358
|
delete
|
Please remove a hydroxyl from the molecule CC1=CCC2C[NH2+]C(O)c3cc([nH]c32)-c2cccc3ncc(nc23)NC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1=CCC2C[NH2+]C(O)c3cc([nH]c32)-c2cccc3ncc(nc23)NC1.
|
CC1=CCC2C[NH2+]Cc3cc([nH]c32)-c2cccc3ncc(nc23)NC1
| null |
hydroxyl
|
1d386173-021d-4651-afb4-601203553a99
|
delete
|
Please remove a amide from the molecule O=C(Nc1ccc(Oc2cccc3c2ccn3CC(=O)N2CC[NH+](C(Cc3ccccc3)C3=COCO3)CC2)nc1)c1ccc(C(F)(F)F)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(Nc1ccc(Oc2cccc3c2ccn3CC(=O)N2CC[NH+](C(Cc3ccccc3)C3=COCO3)CC2)nc1)c1ccc(C(F)(F)F)cc1.
|
O=C(Nc1ccc(Oc2cccc3c2ccn3C2CC[NH+](C(Cc3ccccc3)C3=COCO3)CC2)nc1)c1ccc(C(F)(F)F)cc1
| null |
amide
|
21ffae1c-f191-4ce2-a3e4-9645d90faa16
|
delete
|
Modify the molecule CC[NH+](CCC(N)=S)CC(=O)NC1CCCC1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC[NH+](CCC(N)=S)CC(=O)NC1CCCC1
|
CC[NH+](CCC=S)CC(=O)NC1CCCC1
| null |
amine
|
a0b0bdfc-f95e-408f-a4b8-1653be27c2ce
|
delete
|
Modify the molecule Cc1cccc(-n2ncc3cc(C#N)cnc32)c1 by removing a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cccc(-n2ncc3cc(C#N)cnc32)c1
|
Cc1cccc(-n2ncc3cccnc32)c1
| null |
nitrile
|
e409afe3-ce9a-414b-8e45-d2e966681fbf
|
delete
|
Modify the molecule COc1ccccc1C1CCN(C(=O)NC2CCC3C[NH2+]CC3C2)C1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccccc1C1CCN(C(=O)NC2CCC3C[NH2+]CC3C2)C1
|
COC1CCN(C(=O)NC2CCC3C[NH2+]CC3C2)C1
| null |
benzene
|
24038a0a-7a5f-4786-a25c-beb0aaa33d05
|
delete
|
Modify the molecule O=C(NC(=Cc1cccc2ccccc12)C(=O)N1CCCCC1)c1ccccc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(NC(=Cc1cccc2ccccc12)C(=O)N1CCCCC1)c1ccccc1
|
O=C(NC(=Cc1cccc2ccccc12)C(=O)N1CCCCC1)
| null |
benzene
|
211714ea-d6e9-44cc-b56b-a41ea6bbea49
|
delete
|
Modify the molecule COc1ccc(-c2nc(-c3cccc(C(=O)[O-])n3)cs2)c2c3cc(F)ccc3n(C)c12 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(-c2nc(-c3cccc(C(=O)[O-])n3)cs2)c2c3cc(F)ccc3n(C)c12
|
COc1ccc(-c2nc(-c3cccc(C(=O)[O-])n3)cs2)c2c3ccccc3n(C)c12
| null |
halo
|
c00ebec7-ffde-4c8b-81cf-d5f5bd101020
|
delete
|
Please remove a amine from the molecule NS(=O)(=O)Oc1ccc2oc(C3CCCC3)cc(=O)c2c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
NS(=O)(=O)Oc1ccc2oc(C3CCCC3)cc(=O)c2c1.
|
O=c1cc(C2CCCC2)oc2ccc(O[SH](=O)=O)cc12
| null |
amine
|
35ae4048-7146-4d1c-83f2-69c80fda37dd
|
delete
|
Please remove a halo from the molecule CC1C([Si](C)(C)F)C(CCO)OC12C(=O)N(C)c1ccc(N3C(=O)c4cccc5cccc3c45)cc12.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1C([Si](C)(C)F)C(CCO)OC12C(=O)N(C)c1ccc(N3C(=O)c4cccc5cccc3c45)cc12.
|
CC1C([Si](C)C)C(CCO)OC12C(=O)N(C)c1ccc(N3C(=O)c4cccc5cccc3c45)cc12
| null |
halo
|
b6c063a2-22ca-40b1-a69b-3ba317d2eb53
|
delete
|
Please remove a halo from the molecule CC1(CNC(=O)C(C)(C)Cc2cccc(Cl)c2)CC[NH2+]CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1(CNC(=O)C(C)(C)Cc2cccc(Cl)c2)CC[NH2+]CC1.
|
CC1(CNC(=O)C(C)(C)Cc2ccccc2)CC[NH2+]CC1
| null |
halo
|
3bab040f-0a9a-4f77-beff-bcf391d0e0a3
|
delete
|
Modify the molecule C=CCn1c2ccccc2c2nnc(SC(CC)C(=O)c3ccc([N+](=O)[O-])cc3)nc21 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=CCn1c2ccccc2c2nnc(SC(CC)C(=O)c3ccc([N+](=O)[O-])cc3)nc21
|
C=CCn1c2ccccc2c2nnc(SC(CC)C(=O)[N+](=O)[O-])nc21
| null |
benzene
|
0d12938b-ce3f-4003-bb3a-76a59055f08d
|
delete
|
Modify the molecule O=C(NCc1ccc(F)cc1)C1CCc2[nH]c3ccccc3c2C1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(NCc1ccc(F)cc1)C1CCc2[nH]c3ccccc3c2C1
|
Fc1ccc(CC2Cc3[nH]c4ccccc4c3C2)cc1
| null |
amide
|
e4e55837-48db-4f90-802e-b0c2c028d7bd
|
delete
|
Modify the molecule COCCN(c1cccc(O)c1)c1nc(C(C)Nc2ncnc(N)c2C#N)nn2ccc(C)c12 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COCCN(c1cccc(O)c1)c1nc(C(C)Nc2ncnc(N)c2C#N)nn2ccc(C)c12
|
COCCN(c1cccc(O)c1)c1nc(C(C)c2ncnc(N)c2C#N)nn2ccc(C)c12
| null |
amine
|
389fd82c-af26-4211-8999-2371acbc3abe
|
delete
|
Modify the molecule COc1ccc(C(Cc2ccc(C)cc2)c2csc(N)n2)cc1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(C(Cc2ccc(C)cc2)c2csc(N)n2)cc1
|
COc1ccc(C(Cc2ccc(C)cc2)c2cscn2)cc1
| null |
amine
|
51aed955-cf5d-4b7f-9adf-e81724b7f1c6
|
delete
|
Please remove a amide from the molecule Cc1nc(C=CC(=O)NCCc2ccc(OCc3ccccc3)cc2)cs1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1nc(C=CC(=O)NCCc2ccc(OCc3ccccc3)cc2)cs1.
|
Cc1nc(CCCc2ccc(OCc3ccccc3)cc2)cs1
| null |
amide
|
5f3d7a2e-7504-4f3f-a31d-c23f42ae7185
|
delete
|
Modify the molecule NS(=O)(=O)CCOCCOc1ccc(C(F)(F)F)cc1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
NS(=O)(=O)CCOCCOc1ccc(C(F)(F)F)cc1
|
NS(=O)(=O)CCOCCOc1ccc(C(F)F)cc1
| null |
halo
|
2648466d-0aac-4a9a-9e49-251ae972cd33
|
delete
|
Please remove a benzene ring from the molecule O=C1NCC(c2cccs2)C12CC[NH+](C1(c3ccccc3)CCCCC1)CC2.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C1NCC(c2cccs2)C12CC[NH+](C1(c3ccccc3)CCCCC1)CC2.
|
O=C1NCC(c2cccs2)C12CC[NH+](C1CCCCC1)CC2
| null |
benzene
|
22cbe031-a507-4cc1-9b16-d37cf9325ad4
|
delete
|
Please remove a amide from the molecule CC(=O)N(CC(=O)Nc1cc(C)cc(C)c1)c1ccc(N2CCCC2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=O)N(CC(=O)Nc1cc(C)cc(C)c1)c1ccc(N2CCCC2)cc1.
|
Cc1cc(C)cc(NC(=O)Cc2ccc(N3CCCC3)cc2)c1
| null |
amide
|
de559119-a685-46dd-827e-5a9ffb31a508
|
delete
|
Please remove a amide from the molecule CC(CCO)NC(=O)c1n[nH]c(C2CC2)c1N.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(CCO)NC(=O)c1n[nH]c(C2CC2)c1N.
|
CC(CCO)n1[nH]c(C2CC2)c-1N
| null |
amide
|
2b7777cf-03be-48d2-bd1b-d5d664a7b7ae
|
delete
|
Modify the molecule Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(C(=O)[O-])c3)n2N)cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(C(=O)[O-])c3)n2N)cc1
|
Cc1nnc(SCC(=O)Nc2cccc(C(=O)[O-])c2)n1N
| null |
benzene
|
b31dfb81-1ad6-4a5e-82c5-10fefc91ee82
|
delete
|
Modify the molecule CCN(CC)c1ccc(Nc2ccnc(Nc3ccccc3OC)n2)cc1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCN(CC)c1ccc(Nc2ccnc(Nc3ccccc3OC)n2)cc1
|
CCN(CC)c1ccc(-c2ccnc(Nc3ccccc3OC)n2)cc1
| null |
amine
|
bf96a4e3-0ad8-4ff0-a024-9fc943f48f3b
|
delete
|
Please remove a benzene ring from the molecule CC(CCC(=O)[O-])[NH2+]Cc1ccc(N(C)C)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(CCC(=O)[O-])[NH2+]Cc1ccc(N(C)C)cc1.
|
CC(CCC(=O)[O-])[NH2+]CN(C)C
| null |
benzene
|
9abc92f2-0ef9-4f2d-87f9-e05b091c6e10
|
delete
|
Modify the molecule Cc1nc(-c2ccccc2)ccc1C(=O)N(C)CC1CCCCC1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1nc(-c2ccccc2)ccc1C(=O)N(C)CC1CCCCC1
|
Cc1ncccc1C(=O)N(C)CC1CCCCC1
| null |
benzene
|
13e4cc30-59e2-4695-9a55-ab6e985f0c56
|
delete
|
Modify the molecule N#CC1CCCC1NC(=O)c1cc(F)c(F)c([O-])c1F by removing a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>.
|
N#CC1CCCC1NC(=O)c1cc(F)c(F)c([O-])c1F
|
O=C(NC1CCCC1)c1cc(F)c(F)c([O-])c1F
| null |
nitrile
|
240cfa50-5212-491d-9bed-bed52052cf4c
|
delete
|
Please remove a hydroxyl from the molecule Cc1cc(C=C2OCCC2=O)ccc1O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(C=C2OCCC2=O)ccc1O.
|
Cc1cccc(C=C2OCCC2=O)c1
| null |
hydroxyl
|
7a59bc42-9e69-4e2f-94c0-457bcb04e8aa
|
delete
|
Modify the molecule CC[NH+](CC)CCN(C(=O)CCSc1ccc(F)cc1)c1nc2c(Cl)cccc2s1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC[NH+](CC)CCN(C(=O)CCSc1ccc(F)cc1)c1nc2c(Cl)cccc2s1
|
CC[NH+](CC)CCN(C(=O)CCSc1ccccc1)c1nc2c(Cl)cccc2s1
| null |
halo
|
19e98e98-bdd9-4261-845e-3a64295aea10
|
delete
|
Please remove a amine from the molecule CCC(C(N)=S)[NH+]1CCN(c2cc[nH+]c(C(N)=O)c2)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(C(N)=S)[NH+]1CCN(c2cc[nH+]c(C(N)=O)c2)CC1.
|
CCC(C=S)[NH+]1CCN(c2cc[nH+]c(C(N)=O)c2)CC1
| null |
amine
|
efb6149a-ef83-417a-ba00-b812f3e10c0e
|
delete
|
Please remove a halo from the molecule Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(C(=O)N5CCOCC5)cc4)c3n2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(C(=O)N5CCOCC5)cc4)c3n2)cc1.
|
Cc1ccc(-c2cc(CF)n3ncc(C(=O)Nc4ccc(C(=O)N5CCOCC5)cc4)c3n2)cc1
| null |
halo
|
6ad2e6fc-1425-40f9-ba53-2ca6440beb6c
|
delete
|
Modify the molecule CCc1ccc(-c2nccn2S(C)(=O)=O)cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1ccc(-c2nccn2S(C)(=O)=O)cc1
|
CCc1nccn1S(C)(=O)=O
| null |
benzene
|
4abf81c4-bb73-4888-8440-44f99e0b53ff
|
delete
|
Please remove a benzene ring from the molecule CNc1cc(C)ccc1C(=O)N(CCCO)C(C)C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CNc1cc(C)ccc1C(=O)N(CCCO)C(C)C.
|
CNCC(=O)N(CCCO)C(C)C
| null |
benzene
|
b3892200-bab7-47f9-86ec-f2139db01f3e
|
delete
|
Please remove a benzene ring from the molecule COc1ccc(CC(C)[NH2+]C2CCCC2SC)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(CC(C)[NH2+]C2CCCC2SC)cc1.
|
COCC(C)[NH2+]C1CCCC1SC
| null |
benzene
|
742b7d2a-4788-4afa-aa2f-86957dcf82f0
|
delete
|
Please remove a amine from the molecule CCCNC(NCC[NH+]1CCN(CC)CC1)=[NH+]C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCNC(NCC[NH+]1CCN(CC)CC1)=[NH+]C.
|
CCCNC(CC[NH+]1CCN(CC)CC1)=[NH+]C
| null |
amine
|
2d0c8b0d-66df-4315-b724-1534b21e8f20
|
delete
|
Modify the molecule CS(=O)(=O)N1CCN(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CS(=O)(=O)N1CCN(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1
|
CS(=O)(=O)N1CCN(C(=O)NOc2ccccc2)CC1
| null |
benzene
|
857f43c6-cd8c-4c95-961d-9730b818feca
|
delete
|
Please remove a benzene ring from the molecule COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2C)C(C)C(=O)NC(C)(C)C)c2ccc(F)cc2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2C)C(C)C(=O)NC(C)(C)C)c2ccc(F)cc2)cc1.
|
COc1ccc(S(=O)(=O)N(F)CC(=O)N(Cc2ccccc2C)C(C)C(=O)NC(C)(C)C)cc1
| null |
benzene
|
cd24bb3f-2b18-4b97-97de-0d9d9fe2afce
|
delete
|
Please remove a benzene ring from the molecule O=C(CN1C(=O)C2C3CCC(O3)C2C1=O)NC1CCCN(c2ccccc2)C1=O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(CN1C(=O)C2C3CCC(O3)C2C1=O)NC1CCCN(c2ccccc2)C1=O.
|
O=C(CN1C(=O)C2C3CCC(O3)C2C1=O)NC1CCCNC1=O
| null |
benzene
|
a1f5b354-7cc6-4752-a1a0-b703bc099f16
|
delete
|
Please remove a amine from the molecule CC(C)(C)Nc1nnc(SCC(=O)c2ccc3c(c2)NC(=O)CO3)s1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(C)Nc1nnc(SCC(=O)c2ccc3c(c2)NC(=O)CO3)s1.
|
CC(C)(C)c1nnc(SCC(=O)c2ccc3c(c2)NC(=O)CO3)s1
| null |
amine
|
dbb77e04-4c06-426e-b3ab-9e181ac213f4
|
delete
|
Please remove a benzene ring from the molecule COc1cccc(NC(=O)NCc2nc3ccccc3[nH]2)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1cccc(NC(=O)NCc2nc3ccccc3[nH]2)c1.
|
CONC(=O)NCc1nc2ccccc2[nH]1
| null |
benzene
|
bff59894-f0aa-4367-9712-7db13b603f48
|
delete
|
Please remove a amine from the molecule CCCn1nc2c(N)nc3ccccc3c2c1CC(C)(C)NC(=O)c1ccncc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCn1nc2c(N)nc3ccccc3c2c1CC(C)(C)NC(=O)c1ccncc1.
|
CCCn1nc2cnc3ccccc3c2c1CC(C)(C)NC(=O)c1ccncc1
| null |
amine
|
1266e581-b08a-40ec-9708-f3eeb5982a6b
|
delete
|
Please remove a hydroxyl from the molecule CCCCOc1cc2nn(-c3cccc(O)c3)nc2cc1C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCOc1cc2nn(-c3cccc(O)c3)nc2cc1C.
|
CCCCOc1cc2nn(-c3ccccc3)nc2cc1C
| null |
hydroxyl
|
69b20f44-dca4-4b32-bbfb-9caa65149b23
|
delete
|
Please remove a halo from the molecule O=C(CC1CCCC1)N1CCOCC(F)(F)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(CC1CCCC1)N1CCOCC(F)(F)C1.
|
O=C(CC1CCCC1)N1CCOCC(F)C1
| null |
halo
|
12b8c428-4049-4507-9343-b1b3313d881f
|
delete
|
Please remove a benzene ring from the molecule CCCn1c(=O)[nH]c(=O)c2cc(-c3ccccc3)[nH]c21.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCn1c(=O)[nH]c(=O)c2cc(-c3ccccc3)[nH]c21.
|
CCCn1c(=O)[nH]c(=O)c2cc[nH]c21
| null |
benzene
|
984a8263-65a4-437a-a64e-647a56a0d4d5
|
delete
|
Modify the molecule C=C(CO)CCC(C)NS(=O)(=O)c1ccc(C)cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=C(CO)CCC(C)NS(=O)(=O)c1ccc(C)cc1
|
C=C(CO)CCC(C)NS(C)(=O)=O
| null |
benzene
|
c469023e-f3d5-49ae-865f-a87b96358bc1
|
delete
|
Please remove a amide from the molecule CC1CCc2sc(-c3nnc(SCC(=O)NC4CCCCC4C)o3)cc2C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1CCc2sc(-c3nnc(SCC(=O)NC4CCCCC4C)o3)cc2C1.
|
CC1CCc2sc(-c3nnc(SC4CCCCC4C)o3)cc2C1
| null |
amide
|
beacff15-b8e6-434c-896b-77109d0399aa
|
delete
|
Please remove a amine from the molecule CCCCCCC(C)Nc1cc([N+](=O)[O-])c(C)cc1C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCCCC(C)Nc1cc([N+](=O)[O-])c(C)cc1C.
|
CCCCCCC(C)c1cc([N+](=O)[O-])c(C)cc1C
| null |
amine
|
09855e25-6bb7-402d-a7b6-c4662734865f
|
delete
|
Please remove a amide from the molecule O=C(CCCc1c[nH]c2ccccc12)NCCCc1nnc2ccccn12.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(CCCc1c[nH]c2ccccc12)NCCCc1nnc2ccccn12.
|
c1ccc2c(CCCCCc3nnc4ccccn34)c[nH]c2c1
| null |
amide
|
23c37382-8595-48ec-bdd2-246e900e3291
|
delete
|
Modify the molecule CC1CCC(CC(C[NH3+])Cc2ccc(Cl)cc2)O1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1CCC(CC(C[NH3+])Cc2ccc(Cl)cc2)O1
|
CC1CCC(CC(C[NH3+])CCl)O1
| null |
benzene
|
63874f25-6810-456a-a854-d7b585347d6e
|
delete
|
Please remove a benzene ring from the molecule CC(C)(C)[Si](C)(C)Oc1ccc(C=CC(=O)Sc2ccccc2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(C)[Si](C)(C)Oc1ccc(C=CC(=O)Sc2ccccc2)cc1.
|
CC(C)(C)[Si](C)(C)OC=CC(=O)Sc1ccccc1
| null |
benzene
|
89a3f10d-14eb-4b6a-8810-c1b2e962ea67
|
delete
|
Please remove a benzene ring from the molecule Cc1cccc(Cn2ccc(-c3cccc(-c4cccnc4)c3)n2)n1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cccc(Cn2ccc(-c3cccc(-c4cccnc4)c3)n2)n1.
|
Cc1cccc(Cn2ccc(-c3cccnc3)n2)n1
| null |
benzene
|
636c777f-f343-4370-853d-96adb23148ce
|
delete
|
Please remove a benzene ring from the molecule COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)N4CCOCC4)c3n2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)N4CCOCC4)c3n2)cc1.
|
COc1cc(C(F)(F)F)n2ncc(C(=O)N3CCOCC3)c2n1
| null |
benzene
|
0eff7bca-17d2-40c3-b2ad-bc50a192abef
|
delete
|
Modify the molecule C[NH+](CC1CCCC1O)C1CCN(c2ccccc2Cl)C1=O by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH+](CC1CCCC1O)C1CCN(c2ccccc2Cl)C1=O
|
C[NH+](CC1CCCC1O)C1CCN(Cl)C1=O
| null |
benzene
|
8ac17661-a875-4bde-9486-4cdddda126c1
|
delete
|
Modify the molecule CCOc1ccc(-c2nsc(NC(=O)C3CC3C)c2C)cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOc1ccc(-c2nsc(NC(=O)C3CC3C)c2C)cc1
|
CCOc1nsc(NC(=O)C2CC2C)c1C
| null |
benzene
|
cae41e4a-3e4b-4846-b88e-ea47c5292c7e
|
delete
|
Modify the molecule O=C(NCc1c[nH]c2ncc(Cl)cc12)c1cn(Cc2ccc(N3CCCC3)nc2)nc1C(F)(F)F by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(NCc1c[nH]c2ncc(Cl)cc12)c1cn(Cc2ccc(N3CCCC3)nc2)nc1C(F)(F)F
|
O=C(NCc1c[nH]c2ncccc12)c1cn(Cc2ccc(N3CCCC3)nc2)nc1C(F)(F)F
| null |
halo
|
696b14aa-c872-4ca4-91dc-62ce2d70f3eb
|
delete
|
Modify the molecule COCCn1cc(NC(=O)c2cnn3ccc(N)nc23)c(-c2cc(Cl)ccc2C)n1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COCCn1cc(NC(=O)c2cnn3ccc(N)nc23)c(-c2cc(Cl)ccc2C)n1
|
COCCn1cc(NC(=O)c2cnn3ccc(N)nc23)c(-c2ccccc2C)n1
| null |
halo
|
80dd64ca-ce3b-4973-a38f-769d84c6cc39
|
delete
|
Please remove a amide from the molecule O=C(Nc1ccnc(N2CCOCC2)c1)c1cccc2ccc(-c3cccc(C(F)(F)F)c3)nc12.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(Nc1ccnc(N2CCOCC2)c1)c1cccc2ccc(-c3cccc(C(F)(F)F)c3)nc12.
|
FC(F)(F)c1cccc(-c2ccc3ccc(-c3ccnc(N4CCOCC4)c3)nc23)c1
| null |
amide
|
e0a6b835-7c0f-48e7-98ec-fde8bbbf0cf0
|
delete
|
Please remove a hydroxyl from the molecule Cc1ccccc1-c1ccnc(C(O)C[NH3+])n1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccccc1-c1ccnc(C(O)C[NH3+])n1.
|
Cc1ccccc1-c1ccnc(CC[NH3+])n1
| null |
hydroxyl
|
4a87725e-2955-4920-aad8-a9231eb34942
|
delete
|
Modify the molecule Cc1cc(C)cc(OCC(=O)NNS(=O)(=O)c2cc(Cl)ccc2Cl)c1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(C)cc(OCC(=O)NNS(=O)(=O)c2cc(Cl)ccc2Cl)c1
|
Cc1cc(C)cc(OCC(=O)NS(=O)(=O)c2cc(Cl)ccc2Cl)c1
| null |
amine
|
064ae8c5-0497-4722-ac29-1d804cf50ddf
|
delete
|
Modify the molecule CCCC1CC1[NH2+]CC(O)(CC)CC by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCC1CC1[NH2+]CC(O)(CC)CC
|
CCCC1CC1[NH2+]CC(CC)CC
| null |
hydroxyl
|
59eda94f-4dce-42ed-bcad-89f1fd0bfcd3
|
delete
|
Please remove a benzene ring from the molecule Brc1ccc(-c2nnc(C[NH+]3CCC(C4OCCO4)CC3)o2)cc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Brc1ccc(-c2nnc(C[NH+]3CCC(C4OCCO4)CC3)o2)cc1.
|
Brc1nnc(C[NH+]2CCC(C3OCCO3)CC2)o1
| null |
benzene
|
a75ee632-4f70-4e03-b283-e7e2f061a829
|
delete
|
Please remove a benzene ring from the molecule Cc1ccc(C(=O)Nc2cc(C=CC(=O)[O-])ccc2C)o1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(C(=O)Nc2cc(C=CC(=O)[O-])ccc2C)o1.
|
CC(=CC(=O)[O-])NC(=O)c1ccc(C)o1
| null |
benzene
|
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