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 |
|---|---|---|---|---|---|---|
f0e3962f-cdbb-415a-93ca-b03124917815
|
delete
|
Modify the molecule CCN(CC(N)=[NH+]O)C(=O)c1ccc(OC)cc1O by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCN(CC(N)=[NH+]O)C(=O)c1ccc(OC)cc1O
|
CCN(CC(N)=[NH+]O)C(=O)OOC
| null |
benzene
|
4154ac71-7926-4fd4-8aad-962a9037f23e
|
delete
|
Modify the molecule O=c1oc2ccccc2c([O-])c1-c1c(-c2ccccc2)[nH]c2c(=O)oc3ccccc3c12 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=c1oc2ccccc2c([O-])c1-c1c(-c2ccccc2)[nH]c2c(=O)oc3ccccc3c12
|
O=c1oc2ccccc2c([O-])c1-c1c[nH]c2c(=O)oc3ccccc3c12
| null |
benzene
|
de91647a-33ca-4350-9b45-40176367f1fa
|
delete
|
Please remove a amide from the molecule CC(=O)N(CC1CCCN1C(=O)Cc1ccon1)C1CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=O)N(CC1CCCN1C(=O)Cc1ccon1)C1CC1.
|
O=C(Cc1ccon1)N1CCCC1CC1CC1
| null |
amide
|
95781304-0e50-4bb4-ac1c-6a32a3efd8f5
|
delete
|
Modify the molecule CCOc1ccc(NC(=S)NCc2cccc(OC)c2)cc1OCC by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOc1ccc(NC(=S)NCc2cccc(OC)c2)cc1OCC
|
CCOc1ccc(NC(=S)NCOC)cc1OCC
| null |
benzene
|
cf15ec60-ea4a-4093-af62-3e638285ba02
|
delete
|
Please remove a benzene ring from the molecule CC(C)(C)OC(=O)N1CC(=O)OC(c2ccccc2)C1c1ccccc1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(C)OC(=O)N1CC(=O)OC(c2ccccc2)C1c1ccccc1.
|
CC(C)(C)OC(=O)N1CC(=O)OC(c2ccccc2)C1
| null |
benzene
|
08c70e2d-529d-4c51-ad3e-3935223203d5
|
delete
|
Please remove a benzene ring from the molecule CC1CC(C)C[NH+](Cc2ccccc2CNC(=O)C(N=C2NS(=O)(=O)c3ccccc32)C(C)C)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1CC(C)C[NH+](Cc2ccccc2CNC(=O)C(N=C2NS(=O)(=O)c3ccccc32)C(C)C)C1.
|
CC1CC(C)C[NH+](CCNC(=O)C(N=C2NS(=O)(=O)c3ccccc32)C(C)C)C1
| null |
benzene
|
d41eac33-8046-4000-b249-51e4832216c8
|
delete
|
Modify the molecule CCc1nc(CNC(NC(C)C(C)c2ccccc2)=[NH+]C)cs1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1nc(CNC(NC(C)C(C)c2ccccc2)=[NH+]C)cs1
|
CCc1nc(CNC(=[NH+]C)C(C)C(C)c2ccccc2)cs1
| null |
amine
|
5acd9de6-234d-44b8-9ceb-992679d31cce
|
delete
|
Modify the molecule C#CCCOc1ncc(I)cn1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C#CCCOc1ncc(I)cn1
|
C#CCCOc1ncccn1
| null |
halo
|
4fd52766-d39f-4f19-9e1c-70968af5f69f
|
delete
|
Modify the molecule Nc1ncnc2c1ccn2C1OC(C[NH3+])C(O)C1O by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Nc1ncnc2c1ccn2C1OC(C[NH3+])C(O)C1O
|
[NH3+]CC1OC(n2ccc3cncnc32)C(O)C1O
| null |
amine
|
7a3018bb-13c6-46ae-a11a-c9ebe95d72bb
|
delete
|
Modify the molecule O=C([O-])CCNC(=O)c1ccc(CC(c2ccc(OC(F)(F)F)cc2)c2nc(-c3cc(Cl)cc(Cl)c3)cs2)cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C([O-])CCNC(=O)c1ccc(CC(c2ccc(OC(F)(F)F)cc2)c2nc(-c3cc(Cl)cc(Cl)c3)cs2)cc1
|
O=C([O-])CCNC(=O)CC(c1ccc(OC(F)(F)F)cc1)c1nc(-c2cc(Cl)cc(Cl)c2)cs1
| null |
benzene
|
1563e4f6-5423-4e05-b0aa-f8fc5dcd262f
|
delete
|
Please remove a amine from the molecule COC(=O)c1cc2cc(NS(=O)(=O)c3c[nH]c(=O)[nH]c3=O)ccc2s1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)c1cc2cc(NS(=O)(=O)c3c[nH]c(=O)[nH]c3=O)ccc2s1.
|
COC(=O)c1cc2cc(S(=O)(=O)c3c[nH]c(=O)[nH]c3=O)ccc2s1
| null |
amine
|
f440c48c-6859-4e2c-94c7-a8d096668249
|
delete
|
Please remove a benzene ring from the molecule O=C([O-])CC(O)CC(NC(=O)OCc1ccccc1)C1OCCCO1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C([O-])CC(O)CC(NC(=O)OCc1ccccc1)C1OCCCO1.
|
COC(=O)NC(CC(O)CC(=O)[O-])C1OCCCO1
| null |
benzene
|
24963523-7b5f-4683-9c41-86f30011eec1
|
delete
|
Modify the molecule Cc1cc(Oc2ncc(Br)cc2C[NH3+])ccc1C(C)C by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(Oc2ncc(Br)cc2C[NH3+])ccc1C(C)C
|
CC(C)(C)Oc1ncc(Br)cc1C[NH3+]
| null |
benzene
|
0c11440a-0ecb-4f26-b894-fb111af37023
|
delete
|
Modify the molecule COc1ccc(C[NH2+]C(C)C23CC4CC(CC(C4)C2)C3)cc1Cl by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(C[NH2+]C(C)C23CC4CC(CC(C4)C2)C3)cc1Cl
|
COC(Cl)[NH2+]C(C)C12CC3CC(CC(C3)C1)C2
| null |
benzene
|
13f57b20-b4bd-4193-bf75-d659a78e3c46
|
delete
|
Modify the molecule COc1ccc(-c2nc3ccc(S(=O)(=O)[O-])cc3[nH]2)cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(-c2nc3ccc(S(=O)(=O)[O-])cc3[nH]2)cc1
|
COc1nc2ccc(S(=O)(=O)[O-])cc2[nH]1
| null |
benzene
|
126ec893-64dd-4737-84e0-06eaf3196df3
|
delete
|
Modify the molecule CCOc1ccc2cc(C(=O)Nc3ccc(Cl)cc3C)c(=O)oc2c1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOc1ccc2cc(C(=O)Nc3ccc(Cl)cc3C)c(=O)oc2c1
|
CCOc1ccc2cc(C(=O)Nc3ccccc3C)c(=O)oc2c1
| null |
halo
|
fb8f767d-bc20-4c0a-82bb-4fe37bf108c0
|
delete
|
Modify the molecule Cc1csc(=O)n1CCC(=O)Nc1ccc(C#N)cc1 by removing a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1csc(=O)n1CCC(=O)Nc1ccc(C#N)cc1
|
Cc1csc(=O)n1CCC(=O)Nc1ccccc1
| null |
nitrile
|
7f7f909b-0281-4be0-b316-15242ac1247d
|
delete
|
Please remove a amine from the molecule CCOc1cc(F)c(CN=C(C2CC2)C(C)C(=N)c2nc(N)cc(Nc3ccnnc3)n2)c(F)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOc1cc(F)c(CN=C(C2CC2)C(C)C(=N)c2nc(N)cc(Nc3ccnnc3)n2)c(F)c1.
|
CCOc1cc(F)c(CN=C(C2CC2)C(C)C(=N)c2nccc(Nc3ccnnc3)n2)c(F)c1
| null |
amine
|
a3e47f8d-870c-43e7-8321-8a89faae5874
|
delete
|
Please remove a amine from the molecule C[NH+](C)CCOCCn1nnnc1N.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH+](C)CCOCCn1nnnc1N.
|
C[NH+](C)CCOCCn1cnnn1
| null |
amine
|
bb389890-030a-47b8-b523-3d1a7c55f6e4
|
delete
|
Modify the molecule CCCCCCCCCCCCSCC(NS(=O)(=O)c1ccc(C)cc1)C(F)(F)F by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCCCCCCCCCSCC(NS(=O)(=O)c1ccc(C)cc1)C(F)(F)F
|
CCCCCCCCCCCCSCC(C(F)(F)F)S(=O)(=O)c1ccc(C)cc1
| null |
amine
|
02befb32-3831-4430-9386-9eea27e3f00c
|
delete
|
Modify the molecule CC(C)C(NC(=O)C(CC(N)=O)NC(=O)C1CCCN1C(=O)C(NC(=O)C(COP(=O)([O-])[O-])NC(=O)C(NC(=O)C(CO)NC(=O)C([NH3+])CCC[NH+]=C(N)N)C(C)O)C(C)O)C(=O)NC(C=O)Cc1cnc[nH]1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)C(NC(=O)C(CC(N)=O)NC(=O)C1CCCN1C(=O)C(NC(=O)C(COP(=O)([O-])[O-])NC(=O)C(NC(=O)C(CO)NC(=O)C([NH3+])CCC[NH+]=C(N)N)C(C)O)C(C)O)C(=O)NC(C=O)Cc1cnc[nH]1
|
CC(C)C(NC(=O)C(CC(N)=O)NC(=O)C1CCCN1C(=O)C(NC(=O)C(COP(=O)([O-])[O-])NC(=O)C(NC(=O)C(CO)NC(=O)C([NH3+])CCC[NH+]=CN)C(C)O)C(C)O)C(=O)NC(C=O)Cc1cnc[nH]1
| null |
amine
|
4f22657a-a044-464d-848a-a4208576fb13
|
delete
|
Modify the molecule COc1cccc(OC)c1C1(C2(c3c(OC)cccc3OC)SCC(=O)N2Cc2ccc(-n3cccn3)cc2)SCC(=O)N1Cc1ccc(N2CCCC2)cc1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1cccc(OC)c1C1(C2(c3c(OC)cccc3OC)SCC(=O)N2Cc2ccc(-n3cccn3)cc2)SCC(=O)N1Cc1ccc(N2CCCC2)cc1
|
COc1cccc(OC)c1C1(C2(c3c(OC)cccc3OC)SCC(=O)N2Cc2ccc(-n3cccn3)cc2)SC1c1ccc(N2CCCC2)cc1
| null |
amide
|
2603e2bb-8700-4d6a-8d62-6f5d77c732e1
|
delete
|
Please remove a halo from the molecule CC(C)NC(=O)CCNC(=O)c1c(N)cccc1Cl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)NC(=O)CCNC(=O)c1c(N)cccc1Cl.
|
CC(C)NC(=O)CCNC(=O)c1ccccc1N
| null |
halo
|
94a80b31-1943-400a-b1a5-8447eb01f565
|
delete
|
Please remove a amine from the molecule CCNc1nc(CC)nc(NC2CCCCCC2C)c1C.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCNc1nc(CC)nc(NC2CCCCCC2C)c1C.
|
CCNc1nc(CC)nc(C2CCCCCC2C)c1C
| null |
amine
|
1948f0e1-ffba-4e8d-b9c7-1f3f84ce4264
|
delete
|
Modify the molecule COc1ccccc1C1CCc2ccccc21 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccccc1C1CCc2ccccc21
|
COC1CCc2ccccc21
| null |
benzene
|
076c1fd8-4894-4925-b344-72d305f9a8cf
|
delete
|
Modify the molecule O=S(=O)(NCc1cccc(I)c1)c1cnc(Cl)c(Br)c1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=S(=O)(NCc1cccc(I)c1)c1cnc(Cl)c(Br)c1
|
O=S(=O)(Cc1cccc(I)c1)c1cnc(Cl)c(Br)c1
| null |
amine
|
74406f8a-82f3-4530-84eb-369541a66cca
|
delete
|
Modify the molecule O=C(CN1C(=O)SC(=Cc2cccc(OCc3ccccc3)c2)C1=O)Nc1cccc2ccccc12 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(CN1C(=O)SC(=Cc2cccc(OCc3ccccc3)c2)C1=O)Nc1cccc2ccccc12
|
O=C(S)C(Cc1cccc(OCc2ccccc2)c1)C(=O)Nc1cccc2ccccc12
| null |
amide
|
4db1aff5-b5c6-4a29-aa74-8f693d105cba
|
delete
|
Please remove a halo from the molecule CCCCCCCCCC(CC)CCCCBr.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCCCCCCC(CC)CCCCBr.
|
CCCCCCCCCC(CC)CCCC
| null |
halo
|
e3dd14b6-7dda-4a32-85f0-6d8e48fe0e85
|
delete
|
Modify the molecule CC(C)Oc1ccc(-c2cnn(C)c(=O)c2C(=O)Cl)cc1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)Oc1ccc(-c2cnn(C)c(=O)c2C(=O)Cl)cc1
|
CC(C)Oc1ccc(-c2cnn(C)c(=O)c2C=O)cc1
| null |
halo
|
a6c36e0f-1278-457e-8818-22951c100cd0
|
delete
|
Modify the molecule C=C[Si](OCc1ccccc1)(c1ccccc1)c1ccccc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C=C[Si](OCc1ccccc1)(c1ccccc1)c1ccccc1
|
C=C[Si](OCc1ccccc1)c1ccccc1
| null |
benzene
|
21f9f34e-54a6-48cb-accc-949b586f44a7
|
delete
|
Modify the molecule CCOC(=O)c1ccc(Oc2ccc(C(N)=O)nn2)cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)c1ccc(Oc2ccc(C(N)=O)nn2)cc1
|
CCOC(=O)Oc1ccc(C(N)=O)nn1
| null |
benzene
|
7874f79e-4ba6-4b47-bf30-a23580aa2667
|
delete
|
Please remove a amine from the molecule Cc1ccccc1OCC(N)CC#N.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccccc1OCC(N)CC#N.
|
Cc1ccccc1OCCCC#N
| null |
amine
|
f2c35951-6b70-4f08-83c5-50d4e01470bb
|
delete
|
Please remove a amide from the molecule CCC(=O)Nc1ccc(-c2cnc3n[nH]c(-c4nc5c(-c6ccc(C(N)=O)cc6)cccc5[nH]4)c3c2)cn1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(=O)Nc1ccc(-c2cnc3n[nH]c(-c4nc5c(-c6ccc(C(N)=O)cc6)cccc5[nH]4)c3c2)cn1.
|
Cc1ccc(-c2cnc3n[nH]c(-c4nc5c(-c6ccc(C(N)=O)cc6)cccc5[nH]4)c3c2)cn1
| null |
amide
|
89e988a4-c121-4e91-9000-a0bdc48a4c1b
|
delete
|
Modify the molecule CCOC(=O)c1ccc(C(F)(F)C(O)OCC)cc1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)c1ccc(C(F)(F)C(O)OCC)cc1
|
CCOC(=O)c1ccc(C(F)C(O)OCC)cc1
| null |
halo
|
86b9744f-2ca0-4233-8a40-b70f244cc25a
|
delete
|
Modify the molecule CCCC(CC#N)c1ccc(F)c(C)c1 by removing a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCC(CC#N)c1ccc(F)c(C)c1
|
CCCC(C)c1ccc(F)c(C)c1
| null |
nitrile
|
447b2ebb-fc1d-4de3-9019-41dbbb35b4a8
|
delete
|
Please remove a halo from the molecule C[NH+](C)C1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C[NH+](C)C1CCN(C(=O)c2cc3ccc(Cl)cc3[nH]2)C1.
|
C[NH+](C)C1CCN(C(=O)c2cc3ccccc3[nH]2)C1
| null |
halo
|
28384ec8-e359-4e58-a996-a06c7f1fe637
|
delete
|
Modify the molecule NS(=O)(=O)c1cccc(-c2cn3c([nH+]2)CCC3)c1-c1ccccc1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
NS(=O)(=O)c1cccc(-c2cn3c([nH+]2)CCC3)c1-c1ccccc1
|
O=[SH](=O)c1cccc(-c2cn3c([nH+]2)CCC3)c1-c1ccccc1
| null |
amine
|
f45e6ec1-2f78-424f-a40f-4a4f60ac70bb
|
delete
|
Modify the molecule CC(C)N(CCC(=O)[O-])c1ccc(C(F)(F)F)cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)N(CCC(=O)[O-])c1ccc(C(F)(F)F)cc1
|
CC(C)N(CCC(=O)[O-])C(F)(F)F
| null |
benzene
|
4aa8c6e5-fcdc-44e4-906f-fb81a03a5f4d
|
delete
|
Modify the molecule C#CCCCC(C=C(C=CC(C)C)c1ccccc1)(C(=O)OC)C(=O)OC by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
C#CCCCC(C=C(C=CC(C)C)c1ccccc1)(C(=O)OC)C(=O)OC
|
C#CCCCC(C=CC=CC(C)C)(C(=O)OC)C(=O)OC
| null |
benzene
|
66edcca5-12a8-4c8a-a7ab-0637bddcfbae
|
delete
|
Please remove a amide from the molecule CCCC1CC(=O)N(Cn2cncc2CO)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCC1CC(=O)N(Cn2cncc2CO)C1.
|
CCCCCCn1cncc1CO
| null |
amide
|
a38e1461-1753-410d-a44b-12a0334f8918
|
delete
|
Modify the molecule CCc1nnsc1C(=O)NCC(Br)C(C)C by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1nnsc1C(=O)NCC(Br)C(C)C
|
CCc1nnsc1C(=O)NCCC(C)C
| null |
halo
|
3559c254-7478-4daa-ba05-0f76df7fc0ba
|
delete
|
Modify the molecule COC(=O)NC1=[NH+]CC(c2ccc(C)cc2)CN1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)NC1=[NH+]CC(c2ccc(C)cc2)CN1
|
COC(=O)NC1=[NH+]CC(C)CN1
| null |
benzene
|
85d09030-2d5d-4556-bf03-6faf3ea7dd4d
|
delete
|
Please remove a benzene ring from the molecule O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1cccc(-c2nnnn2C2CC2)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1cccc(-c2nnnn2C2CC2)c1.
|
O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)Nc1nnnn1C1CC1
| null |
benzene
|
ad2da0a0-c792-4377-bf51-b78134162013
|
delete
|
Modify the molecule O=C(C1CN(c2ncc(C(F)(F)F)cc2Cl)C1)N1CCCC1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(C1CN(c2ncc(C(F)(F)F)cc2Cl)C1)N1CCCC1
|
O=C(C1CN(c2ncc(C(F)F)cc2Cl)C1)N1CCCC1
| null |
halo
|
3e50b5b4-25c4-4b50-9459-4ae8ecea3896
|
delete
|
Please remove a halo from the molecule CCCCCC1CCC(C2CCC(CCc3c(C)cc(C4CO4)c(C(F)(F)F)c3C(F)(F)F)CC2)CC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCCC1CCC(C2CCC(CCc3c(C)cc(C4CO4)c(C(F)(F)F)c3C(F)(F)F)CC2)CC1.
|
CCCCCC1CCC(C2CCC(CCc3c(C)cc(C4CO4)c(C(F)(F)F)c3C(F)F)CC2)CC1
| null |
halo
|
7dea4746-2441-45b2-8bd4-e7cb267fc56c
|
delete
|
Please remove a nitrile from the molecule CCOC(=O)C(C#N)C(C(=O)c1ccc(Cl)cc1)c1cccc(I)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)C(C#N)C(C(=O)c1ccc(Cl)cc1)c1cccc(I)c1.
|
CCOC(=O)CC(C(=O)c1ccc(Cl)cc1)c1cccc(I)c1
| null |
nitrile
|
cd24dd84-5fb4-4c0f-9d29-5e08a3c2da20
|
delete
|
Please remove a benzene ring from the molecule CC1CC(C)CN(c2ccc(N3C(=S)NC(c4ccccn4)C3c3ccc(-c4ccc(F)cc4)o3)cc2Cl)C1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1CC(C)CN(c2ccc(N3C(=S)NC(c4ccccn4)C3c3ccc(-c4ccc(F)cc4)o3)cc2Cl)C1.
|
CC1CC(C)CN(c2ccc(N3C(=S)NC(c4ccccn4)C3c3ccc(F)o3)cc2Cl)C1
| null |
benzene
|
0c3c944b-82b1-45c3-9f2f-db8df24937da
|
delete
|
Please remove a amine from the molecule O=c1ccc2c(Nc3c(Cl)ccc4c3OCO4)ccnc2[nH]1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=c1ccc2c(Nc3c(Cl)ccc4c3OCO4)ccnc2[nH]1.
|
O=c1ccc2c(-c3c(Cl)ccc4c3OCO4)ccnc2[nH]1
| null |
amine
|
669ced48-b845-4a54-926a-8fde75de7040
|
delete
|
Please remove a benzene ring from the molecule COCC(=O)NCc1cccc(C(=Nc2ccc(C[NH+](C)C)cc2)c2c(O)[nH]c3cc(F)ccc23)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COCC(=O)NCc1cccc(C(=Nc2ccc(C[NH+](C)C)cc2)c2c(O)[nH]c3cc(F)ccc23)c1.
|
COCC(=O)NCc1cccc(C(=NC[NH+](C)C)c2c(O)[nH]c3cc(F)ccc23)c1
| null |
benzene
|
2d845871-e177-45d7-b57a-c9a515001ba4
|
delete
|
Modify the molecule COc1cccc(CCNNC(=O)C2(Cc3ccc(Br)cc3)N=C(c3ccc(OCCCO)cc3)OC2c2ccccc2Br)c1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1cccc(CCNNC(=O)C2(Cc3ccc(Br)cc3)N=C(c3ccc(OCCCO)cc3)OC2c2ccccc2Br)c1
|
COc1cccc(CCNNC(=O)C2(Cc3ccc(Br)cc3)N=C(c3ccc(OCCCO)cc3)OC2c2ccccc2)c1
| null |
halo
|
3aa50c69-d706-447f-977c-c33555ba28d1
|
delete
|
Please remove a hydroxyl from the molecule COc1ccc(CCNC(=O)CO)cc1OC.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccc(CCNC(=O)CO)cc1OC.
|
COc1ccc(CCNC(=O)C)cc1OC
| null |
hydroxyl
|
2b5334f8-4297-4fe8-99ec-4f1813489889
|
delete
|
Modify the molecule CC1(C)CCCN1C(=O)CNC(=O)C[NH3+] by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1(C)CCCN1C(=O)CNC(=O)C[NH3+]
|
CC1(C)CCCN1C(=O)C[NH3+]
| null |
amide
|
3ba8c1e9-b45d-48c4-9ccc-098f05ce8b29
|
delete
|
Please remove a benzene ring from the molecule CCCCc1[nH+]cc(C=C(Cc2ccc(C)s2)c2nn[n-]n2)n1Cc1ccccc1Cl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCCc1[nH+]cc(C=C(Cc2ccc(C)s2)c2nn[n-]n2)n1Cc1ccccc1Cl.
|
CCCCc1[nH+]cc(C=C(Cc2ccc(C)s2)c2nn[n-]n2)n1CCl
| null |
benzene
|
559a1876-60cf-47cf-858a-7f2cb9c3573f
|
delete
|
Modify the molecule CC(=O)CCc1ccc2c(c1)NC(=O)CO2 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=O)CCc1ccc2c(c1)NC(=O)CO2
|
CC(=O)CCc1ccc2c(c1)O2
| null |
amide
|
b9fe4743-c3d0-49a4-9a8f-ff9881046be9
|
delete
|
Please remove a benzene ring from the molecule CC1(Nc2cccc(F)c2C(N)=S)CCOCC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1(Nc2cccc(F)c2C(N)=S)CCOCC1.
|
CC1(N(F)C(N)=S)CCOCC1
| null |
benzene
|
b35986a1-f21e-41e1-9468-3fff9d2270c8
|
delete
|
Modify the molecule Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc4c(c3)CC(=O)N4)cc12 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccc4c(c3)CC(=O)N4)cc12
|
Cc1nn(C2CCCCC2)c2sc(C(=O)Nc3ccccc3)cc12
| null |
amide
|
27ded9ae-1441-4937-8a94-e6b3c33c4449
|
delete
|
Please remove a benzene ring from the molecule COCc1[nH]n(-c2ccc(C#N)cc2)c2nnc(N)c1-2.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COCc1[nH]n(-c2ccc(C#N)cc2)c2nnc(N)c1-2.
|
COCc1[nH]n(C#N)c2nnc(N)c1-2
| null |
benzene
|
744328b6-3bce-4998-801a-ac0e2ef8cc3a
|
delete
|
Please remove a halo from the molecule O=C(Nc1cccc(I)c1)c1ccc2c(=O)n3c(nc2c1)CCCCC3.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(Nc1cccc(I)c1)c1ccc2c(=O)n3c(nc2c1)CCCCC3.
|
O=C(Nc1ccccc1)c1ccc2c(=O)n3c(nc2c1)CCCCC3
| null |
halo
|
90e217fd-2559-4280-be6f-4bbba0d2b922
|
delete
|
Modify the molecule Cc1ccc(-c2nc3scc(C)n3c2CC#N)cc1 by removing a nitrile.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1ccc(-c2nc3scc(C)n3c2CC#N)cc1
|
Cc1ccc(-c2nc3scc(C)n3c2C)cc1
| null |
nitrile
|
a8fe88dd-7615-48f7-9579-5d8f78840fee
|
delete
|
Modify the molecule CCOC(=O)Oc1ccc(C(=O)NC2CCN(C(=O)CCc3cccc(F)c3)CC2)cc1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)Oc1ccc(C(=O)NC2CCN(C(=O)CCc3cccc(F)c3)CC2)cc1
|
CCOC(=O)Oc1ccc(C(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)cc1
| null |
halo
|
b0ae951b-c724-4a2b-acbd-e883dcd2dfec
|
delete
|
Please remove a thiol from the molecule CC(S)C(=O)OCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(S)C(=O)OCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
|
CCC(=O)OCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
| null |
thiol
|
2e8bd220-4e65-41eb-8f19-849cbebcaf26
|
delete
|
Please remove a amine from the molecule CCn1ncc(OC)c1C(NN)c1coc(C)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCn1ncc(OC)c1C(NN)c1coc(C)c1.
|
CCn1ncc(OC)c1C(N)c1coc(C)c1
| null |
amine
|
29892836-ee93-4d63-8d3f-be147c608aca
|
delete
|
Please remove a benzene ring from the molecule O=C([O-])CCC(NC(=O)c1ccccc1SSc1ccccc1C(=O)NC(CCC(=O)[O-])C(=O)[O-])C(=O)[O-].
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C([O-])CCC(NC(=O)c1ccccc1SSc1ccccc1C(=O)NC(CCC(=O)[O-])C(=O)[O-])C(=O)[O-].
|
O=C([O-])CCC(NC(=O)SSc1ccccc1C(=O)NC(CCC(=O)[O-])C(=O)[O-])C(=O)[O-]
| null |
benzene
|
41f70df1-f0fb-4892-9eec-cc296249bdfc
|
delete
|
Please remove a benzene ring from the molecule COc1ccccc1NC(=O)Nc1ccccc1-c1cn2c([nH+]1)SCC2.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COc1ccccc1NC(=O)Nc1ccccc1-c1cn2c([nH+]1)SCC2.
|
CONC(=O)Nc1ccccc1-c1cn2c([nH+]1)SCC2
| null |
benzene
|
1a8de0b8-b9a3-4768-b61d-59fa94abdb3e
|
delete
|
Modify the molecule CC(=O)N(CC(=O)NCc1ccccc1Cl)c1ccc(C)cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(=O)N(CC(=O)NCc1ccccc1Cl)c1ccc(C)cc1
|
CC(=O)N(C)CC(=O)NCc1ccccc1Cl
| null |
benzene
|
472ea3d9-64a8-46be-8135-5848378394d7
|
delete
|
Please remove a halo from the molecule COC(=O)c1cc(-c2ccc(C=NNC(=O)c3ccc(NC(C)=O)cc3)o2)ccc1Cl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
COC(=O)c1cc(-c2ccc(C=NNC(=O)c3ccc(NC(C)=O)cc3)o2)ccc1Cl.
|
COC(=O)c1cccc(-c2ccc(C=NNC(=O)c3ccc(NC(C)=O)cc3)o2)c1
| null |
halo
|
e3922a71-8ed2-43ba-ad1b-373b67b35ec3
|
delete
|
Modify the molecule CCNc1nc(CCOCC(F)(F)F)ncc1I by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCNc1nc(CCOCC(F)(F)F)ncc1I
|
CCc1nc(CCOCC(F)(F)F)ncc1I
| null |
amine
|
52cca757-a22e-4118-a529-9854e6893bb3
|
delete
|
Please remove a benzene ring from the molecule CC(C)Nc1ccccc1NC1CCCCC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)Nc1ccccc1NC1CCCCC1.
|
CC(C)NNC1CCCCC1
| null |
benzene
|
1c0655e0-d71c-483c-abdf-6699ae244df8
|
delete
|
Modify the molecule Cn1nccc1-c1cc(NC(=O)COc2ccc(C#N)cc2)ccc1OCC[NH+]1CCOCC1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cn1nccc1-c1cc(NC(=O)COc2ccc(C#N)cc2)ccc1OCC[NH+]1CCOCC1
|
Cn1nccc1-c1cc(NC(=O)COC#N)ccc1OCC[NH+]1CCOCC1
| null |
benzene
|
f42bd00d-5446-414d-9e7e-744d6f18f21a
|
delete
|
Modify the molecule CSc1ccc(Cn2ncc(Cl)c2N)cc1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CSc1ccc(Cn2ncc(Cl)c2N)cc1
|
CSc1ccc(Cn2nccc2N)cc1
| null |
halo
|
5f6135a8-41c2-4370-9ae5-9905230de19a
|
delete
|
Modify the molecule CC1CC(C(=O)[O-])CN(S(=O)(=O)c2cc(F)c(F)c(F)c2)C1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1CC(C(=O)[O-])CN(S(=O)(=O)c2cc(F)c(F)c(F)c2)C1
|
CC1CC(C(=O)[O-])CN(S(=O)(=O)c2ccc(F)c(F)c2)C1
| null |
halo
|
188dcb0b-bdc6-4b39-ad80-47b7d3238485
|
delete
|
Please remove a halo from the molecule CC(C)(C)C1=[NH+]C(=O)CC(Cl)=N1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(C)(C)C1=[NH+]C(=O)CC(Cl)=N1.
|
CC(C)(C)C1=[NH+]C(=O)CC=N1
| null |
halo
|
1f6b9419-b2cd-48dc-b17e-415c4d86b97f
|
delete
|
Modify the molecule CCCC(C)NC(=O)COC(=O)c1oc2ccc(OCC)cc2c1C by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCC(C)NC(=O)COC(=O)c1oc2ccc(OCC)cc2c1C
|
CCCC(C)OC(=O)c1oc2ccc(OCC)cc2c1C
| null |
amide
|
c3f46ea9-8b71-438d-882c-da55ddb35ea3
|
delete
|
Modify the molecule CCC(c1nc2occc2c(=O)n1Cc1ccccc1)[NH+](CCN(C)C)Cc1ccc(Cl)cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(c1nc2occc2c(=O)n1Cc1ccccc1)[NH+](CCN(C)C)Cc1ccc(Cl)cc1
|
CCC(c1nc2occc2c(=O)n1Cc1ccccc1)[NH+](CCl)CCN(C)C
| null |
benzene
|
56df9db5-8619-42e6-9cc6-8d5e5a3161d2
|
delete
|
Please remove a halo from the molecule Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4ccccc4F)CC3)ncn2)n1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4ccccc4F)CC3)ncn2)n1.
|
Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4ccccc4)CC3)ncn2)n1
| null |
halo
|
6683aef4-9885-43c2-9062-a1bde2a62c4a
|
delete
|
Modify the molecule O=C(CC1C2CC3CC(C2)CC1C3)N1CCC2(CCCC2)C1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C(CC1C2CC3CC(C2)CC1C3)N1CCC2(CCCC2)C1
|
C1CCC2(C1)CCC2C1C2CC3CC(C2)CC1C3
| null |
amide
|
ce9380f2-6ee9-4c2c-99b5-2cdaae480f6d
|
delete
|
Please remove a amine from the molecule CCOc1ccc(C=C2SC(=[NH+]c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c(OCC)c1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOc1ccc(C=C2SC(=[NH+]c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c(OCC)c1.
|
CCOc1ccc(C=C2SC(c3ccccc3)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c(OCC)c1
| null |
amine
|
31887966-1c10-43b0-b20f-8bd46caae112
|
delete
|
Modify the molecule O=C([O-])C1(COc2ccccc2Br)CCCCC1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C([O-])C1(COc2ccccc2Br)CCCCC1
|
O=C([O-])C1(COBr)CCCCC1
| null |
benzene
|
3ca3483b-6d26-460b-84a2-8cf1cb230b45
|
delete
|
Modify the molecule O=C([O-])c1cncnc1C[NH2+]CCCCCO by removing a hydroxyl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C([O-])c1cncnc1C[NH2+]CCCCCO
|
CCCCC[NH2+]Cc1ncncc1C(=O)[O-]
| null |
hydroxyl
|
a79ea7a3-6f02-46ab-a5a1-bc1ddda70b21
|
delete
|
Modify the molecule Cc1nc2ccc3cc4ccccc4cc3c2cc1N=Cc1ccc(N(C)C)cc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1nc2ccc3cc4ccccc4cc3c2cc1N=Cc1ccc(N(C)C)cc1
|
Cc1nc2ccc3cc4ccccc4cc3c2cc1N=CN(C)C
| null |
benzene
|
5d0bdd5d-7c55-4ebf-941f-7c0b86617527
|
delete
|
Modify the molecule CN(CC[NH3+])Cc1nccn1Cc1ccccc1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CN(CC[NH3+])Cc1nccn1Cc1ccccc1
|
CN(CC[NH3+])Cc1nccn1C
| null |
benzene
|
8f45aed2-719d-4b44-8476-a6bdeb516819
|
delete
|
Modify the molecule O=C1COc2ccc(C3CC(C(=O)[O-])[NH2+]CO3)cc2N1 by removing a amide.
Please wrap the final SMILES in <smiles>...</smiles>.
|
O=C1COc2ccc(C3CC(C(=O)[O-])[NH2+]CO3)cc2N1
|
O=C([O-])C1CC(c2ccc3c(c2)O3)OC[NH2+]1
| null |
amide
|
ecc9744d-344a-4cb4-a360-236d8905f535
|
delete
|
Modify the molecule CCN(Cc1ccccc1)C(=O)C[NH+]1CCC(NS(C)(=O)=O)CC1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCN(Cc1ccccc1)C(=O)C[NH+]1CCC(NS(C)(=O)=O)CC1
|
CCN(C)C(=O)C[NH+]1CCC(NS(C)(=O)=O)CC1
| null |
benzene
|
9412c25e-d0b1-4715-a3ea-1e675fddda29
|
delete
|
Modify the molecule Cc1nccn2c(C3CCN(C)C(=O)C3)nc(Br)c12 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Cc1nccn2c(C3CCN(C)C(=O)C3)nc(Br)c12
|
Cc1nccn2c(C3CCN(C)C(=O)C3)ncc12
| null |
halo
|
b62c5806-5fad-44d1-aed9-b8acf6c8bdb2
|
delete
|
Please remove a hydroxyl from the molecule CCOc1cc(C2C(c3cccc4ccccc34)=C(O)C(=O)N2c2ccc(CC)cc2)ccc1O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOc1cc(C2C(c3cccc4ccccc34)=C(O)C(=O)N2c2ccc(CC)cc2)ccc1O.
|
CCOc1cccc(C2C(c3cccc4ccccc34)=C(O)C(=O)N2c2ccc(CC)cc2)c1
| null |
hydroxyl
|
fe01105b-6500-4b76-a1b4-d7f6e28fb895
|
delete
|
Please remove a benzene ring from the molecule CCOc1ccc2[nH]c(-c3cccc(O)c3O)nc2n1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOc1ccc2[nH]c(-c3cccc(O)c3O)nc2n1.
|
CCOc1ccc2[nH]c(OO)nc2n1
| null |
benzene
|
48164593-2bb3-4649-ac41-7bd3c5c80b69
|
delete
|
Please remove a amine from the molecule CCNC(NCCc1cccnc1)=[NH+]CC1COc2ccccc2O1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCNC(NCCc1cccnc1)=[NH+]CC1COc2ccccc2O1.
|
CCNC(CCc1cccnc1)=[NH+]CC1COc2ccccc2O1
| null |
amine
|
109a8c14-fc1c-4479-aa03-4e396152f419
|
delete
|
Please remove a amide from the molecule CCC(C)C([NH3+])C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCCCCCCCCCCCCNC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C([NH3+])C(C)CC.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCC(C)C([NH3+])C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)NCCCCCCCCCCCCNC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C([NH3+])C(C)CC.
|
CCC(C)C([NH3+])C(Cc1ccccc1)C(Cc1ccccc1)CCCCCCCCCCCCCC(Cc1ccccc1)C(Cc1ccccc1)C([NH3+])C(C)CC
| null |
amide
|
7fde3eab-3b94-4fd1-88d1-4a8c1b72d424
|
delete
|
Please remove a halo from the molecule FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si]Cl.
Please wrap the final SMILES in <smiles>...</smiles>.
|
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si]Cl.
|
FC(C(F)(F)C(F)(F)CC[Si]Cl)C(F)(F)C(F)(F)C(F)(F)F
| null |
halo
|
35365f93-06b3-4c6e-a0db-2ff5a64f7679
|
delete
|
Modify the molecule CC(NC(=O)c1cc2c(nc3sccn32)s1)c1cccc(NS(C)(=O)=O)c1 by removing a amine.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC(NC(=O)c1cc2c(nc3sccn32)s1)c1cccc(NS(C)(=O)=O)c1
|
CC(NC(=O)c1cc2c(nc3sccn32)s1)c1cccc(S(C)(=O)=O)c1
| null |
amine
|
dc761318-9de9-4487-bfa7-b3689b7b8813
|
delete
|
Please remove a halo from the molecule CCCc1ccc(C#CC2CCC(C3CCC(C)CC3)CC2)cc1F.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCCc1ccc(C#CC2CCC(C3CCC(C)CC3)CC2)cc1F.
|
CCCc1ccc(C#CC2CCC(C3CCC(C)CC3)CC2)cc1
| null |
halo
|
fccd6f57-d565-46f4-8036-dca6734aff09
|
delete
|
Modify the molecule CCc1cc(CO)c(Cl)c2sccc12 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1cc(CO)c(Cl)c2sccc12
|
CCc1cc(CO)cc2sccc12
| null |
halo
|
7be664de-f8d1-4298-a5e9-874cf94a0228
|
delete
|
Please remove a amine from the molecule CCNC(NCC(C)[NH+]1CCOCC1)=[NH+]CC(C)C[NH+]1CCCCC1.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCNC(NCC(C)[NH+]1CCOCC1)=[NH+]CC(C)C[NH+]1CCCCC1.
|
CCNC(CC(C)C[NH+]1CCCCC1)NCC(C)[NH+]1CCOCC1
| null |
amine
|
590b6cca-02d9-4457-bc09-ee7d9cd091d5
|
delete
|
Modify the molecule CCc1cccc(C)c1NC(=O)N(C)C(C)c1ccccc1Cl by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCc1cccc(C)c1NC(=O)N(C)C(C)c1ccccc1Cl
|
CCc1cccc(C)c1NC(=O)N(C)C(C)c1ccccc1
| null |
halo
|
61dc7c0c-084e-4f91-abf3-9edfdda326b5
|
delete
|
Please remove a amine from the molecule Fc1c2ncnc1Nc1cc(ncn1)Nc1ncnc(c1Cl)Nc1cc(ncn1)N2.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Fc1c2ncnc1Nc1cc(ncn1)Nc1ncnc(c1Cl)Nc1cc(ncn1)N2.
|
Fc1c2ncnc1Nc1cc(ncn1)-c1ncnc(c1Cl)Nc1cc(ncn1)N2
| null |
amine
|
1e0ff36a-d016-4753-bc7b-a873143c36d2
|
delete
|
Modify the molecule CC1(C)CC(O)(Cc2ccc(Cl)cc2)C(C)(C)O1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC1(C)CC(O)(Cc2ccc(Cl)cc2)C(C)(C)O1
|
CC1(C)CC(O)(Cc2ccccc2)C(C)(C)O1
| null |
halo
|
c008a561-5e6e-497a-a5ec-501d532550c2
|
delete
|
Modify the molecule CC([NH3+])=C(C#N)C(=O)CSc1[nH+]cc(-c2ccccc2)n1-c1ccccc1Cl by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CC([NH3+])=C(C#N)C(=O)CSc1[nH+]cc(-c2ccccc2)n1-c1ccccc1Cl
|
CC([NH3+])=C(C#N)C(=O)CSc1[nH+]cc(-c2ccccc2)n1Cl
| null |
benzene
|
46ab6874-1c49-4179-9f05-7ec085449776
|
delete
|
Modify the molecule N#Cc1cc(-c2cc(C(=O)[O-])ccn2)cc(Cl)c1N1CCCCC1 by removing a halo.
Please wrap the final SMILES in <smiles>...</smiles>.
|
N#Cc1cc(-c2cc(C(=O)[O-])ccn2)cc(Cl)c1N1CCCCC1
|
N#Cc1cc(-c2cc(C(=O)[O-])ccn2)ccc1N1CCCCC1
| null |
halo
|
9cbee5ac-3f69-48f6-a77b-a6eef76b8d26
|
delete
|
Please remove a benzene ring from the molecule Bc1cc(CC(OC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCC(C(C)(O)CCN(CC)S(C)(=O)=O)CC2)cc(C)c1O.
Please wrap the final SMILES in <smiles>...</smiles>.
|
Bc1cc(CC(OC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCC(C(C)(O)CCN(CC)S(C)(=O)=O)CC2)cc(C)c1O.
|
BCOCC(OC(=O)N1CCC(N2CCc3ccccc3NC2=O)CC1)C(=O)N1CCC(C(C)(O)CCN(CC)S(C)(=O)=O)CC1
| null |
benzene
|
54714b45-4ba2-4f16-b4e0-8fa770e27e51
|
delete
|
Modify the molecule CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4C[NH+](C)CC(C)c4ccccc4)cc3)cc2)CC1 by removing a benzene ring.
Please wrap the final SMILES in <smiles>...</smiles>.
|
CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4C[NH+](C)CC(C)c4ccccc4)cc3)cc2)CC1
|
CCOC(=O)C1(c2ccc(-c3onc(C)c3C[NH+](C)CC(C)c3ccccc3)cc2)CC1
| null |
benzene
|
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