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mol_101_102

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Can you make molecule C[NH2+][C@@]1(C(=O)[O-])CC[C@H](Sc2nccc(=O)[nH]2)C1 more soluble in water? The output molecule should be similar to the input molecule.
C/[NH+]=C(/N)N(C)[C@@]1(C(=O)[O-])CC[C@H](Sc2nccc(=O)[nH]2)C1
C[NH2+][C@@]1(C(=O)[O-])CC[C@H](Sc2nccc(=O)[nH]2)C1
C/[NH+]=C(/N)N(C)[C@@]1(C(=O)[O-])CC[C@H](Sc2nccc(=O)[nH]2)C1
101
{ "fragment_index": 0, "new_substring": "C/[NH+]=C(/N&)N&C", "old_substring": "C[NH2+]3" }
Can you make molecule C=CCNC(=O)C(C#N)=Cc1ccc(OCC)cc1 more soluble in water? The output molecule should be similar to the input molecule.
C=CCc1nc(NN)nc(C(=O)C(C#N)=Cc2ccc(OCC)cc2)n1
C=CCNC(=O)C(C#N)=Cc1ccc(OCC)cc1
C=CCc1nc(NN)nc(C(=O)C(C#N)=Cc2ccc(OCC)cc2)n1
101
{ "fragment_index": 0, "new_substring": "NNc1nc&nc&n1", "old_substring": "N25" }
Can you make molecule CSc1ccccc1NC(=O)N[C@@H](CO)c1ccc(Cl)cc1 more soluble in water? The output molecule should be similar to the input molecule.
CSc1ccccc1NC(=O)N[C@@H](CO)c1cc(C)c(N)cc1Cl
CSc1ccccc1NC(=O)N[C@@H](CO)c1ccc(Cl)cc1
CSc1ccccc1NC(=O)N[C@@H](CO)c1cc(C)c(N)cc1Cl
101
{ "fragment_index": 0, "new_substring": "Cc1cc&c(Cl)cc1N", "old_substring": "c16ccc(Cl)cc1" }
Can you make molecule COc1cc(C)c([C@@H](C)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1OC more soluble in water? The output molecule should be similar to the input molecule.
COc1cc(C)c([C@@H](C)NN2CCC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1OC
COc1cc(C)c([C@@H](C)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1OC
COc1cc(C)c([C@@H](C)NN2CCC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1OC
101
{ "fragment_index": 0, "new_substring": "N1&CCC[NH+]&CC1", "old_substring": "C17CC[NH+]8CC1" }
Can you make molecule C[C@]1(c2ccc(F)cc2)NC(=O)N(C[C@@H](O)COCc2ccccc2F)C1=O more soluble in water? The output molecule should be similar to the input molecule.
C[C@]1(c2ccc(F)cc2)NC(=O)N(C[C@@H]([O-])COCc2ccccc2F)C1=O
C[C@]1(c2ccc(F)cc2)NC(=O)N(C[C@@H](O)COCc2ccccc2F)C1=O
C[C@]1(c2ccc(F)cc2)NC(=O)N(C[C@@H]([O-])COCc2ccccc2F)C1=O
101
{ "fragment_index": 0, "new_substring": "C&[C@@H]([O-])C&", "old_substring": "C5[C@@H](O)C3" }
Can you make molecule Cc1ccc(-n2ccnc2SCC(=O)N(CC(N)=O)C(C)C)cc1C less soluble in water? The output molecule should be similar to the input molecule.
Cc1ccc(-n2cc(SCC(=O)N(CC(N)=O)C(C)C)n(C)c2=S)cc1C
Cc1ccc(-n2ccnc2SCC(=O)N(CC(N)=O)C(C)C)cc1C
Cc1ccc(-n2cc(SCC(=O)N(CC(N)=O)C(C)C)n(C)c2=S)cc1C
102
{ "fragment_index": 0, "new_substring": "n1&cc&n(C)c1=S", "old_substring": "n17ccnc18" }
Can you make molecule [O-]c1nc(-c2cccnc2)nc2c1CC[NH+](Cc1ccnc(N3CCOCC3)n1)C2 less soluble in water? The output molecule should be similar to the input molecule.
[O-]c1nc(-c2cccnc2)nc2c1CC[NH+](Cc1ccnc(N3CCCC3)n1)C2
[O-]c1nc(-c2cccnc2)nc2c1CC[NH+](Cc1ccnc(N3CCOCC3)n1)C2
[O-]c1nc(-c2cccnc2)nc2c1CC[NH+](Cc1ccnc(N3CCCC3)n1)C2
102
{ "fragment_index": 0, "new_substring": "N1&CCCC1", "old_substring": "N15CCOCC1" }
Can you make molecule COc1ccc(OC)c([C@H]2CCCN2C(=O)Nc2ccccc2Cl)c1 more soluble in water? The output molecule should be similar to the input molecule.
COc1ccc(OC)c([C@H]2CCCN2C(=O)Nc2ccccc2)c1
COc1ccc(OC)c([C@H]2CCCN2C(=O)Nc2ccccc2Cl)c1
COc1ccc(OC)c([C@H]2CCCN2C(=O)Nc2ccccc2)c1
101
{ "fragment_index": 0, "new_substring": "c1&ccccc1", "old_substring": "c17ccccc1Cl" }
Can you make molecule COc1ccc(F)c(NC(=O)C(=O)NC[C@H](O)c2ccco2)c1 more soluble in water? The output molecule should be similar to the input molecule.
COc1ccc(F)c(NN2CCN(NC[C@H](O)c3ccco3)C(=O)C2=O)c1
COc1ccc(F)c(NC(=O)C(=O)NC[C@H](O)c2ccco2)c1
COc1ccc(F)c(NN2CCN(NC[C@H](O)c3ccco3)C(=O)C2=O)c1
101
{ "fragment_index": 0, "new_substring": "N1&CCN&C(=O)C1=O", "old_substring": "C3(=O)C4=O" }
Can you make molecule COC(=O)[C@](NC(=O)c1cccc(Cl)c1)(Nc1ccc(Br)c[nH+]1)C(F)(F)F less soluble in water? The output molecule should be similar to the input molecule.
COC(=O)[C@](NC(=O)c1ccc(Cl)c(Cl)c1)(Nc1ccc(Br)c[nH+]1)C(F)(F)F
COC(=O)[C@](NC(=O)c1cccc(Cl)c1)(Nc1ccc(Br)c[nH+]1)C(F)(F)F
COC(=O)[C@](NC(=O)c1ccc(Cl)c(Cl)c1)(Nc1ccc(Br)c[nH+]1)C(F)(F)F
102
{ "fragment_index": 0, "new_substring": "c1&ccc(Cl)c(Cl)c1", "old_substring": "c17cccc(Cl)c1" }
Can you make molecule O=C([O-])c1ccc([S@@+]([O-])Cc2ccc(O)cc2)cc1 less soluble in water? The output molecule should be similar to the input molecule.
O=C([O-])c1ccc([S@@+]([O-])Cc2ccc(I)cc2)cc1
O=C([O-])c1ccc([S@@+]([O-])Cc2ccc(O)cc2)cc1
O=C([O-])c1ccc([S@@+]([O-])Cc2ccc(I)cc2)cc1
102
{ "fragment_index": 0, "new_substring": "c1&ccc(I)cc1", "old_substring": "c14ccc(O)cc1" }
Can you make molecule C[C@@H]1CCC[C@@H](C(=O)O[C@@H](C)[C@@H]2CCCO2)C1 more soluble in water? The output molecule should be similar to the input molecule.
C[C@@H]1CCC[C@@H](ONC(=O)C(=O)O[C@@H](C)[C@@H]2CCCO2)C1
C[C@@H]1CCC[C@@H](C(=O)O[C@@H](C)[C@@H]2CCCO2)C1
C[C@@H]1CCC[C@@H](ONC(=O)C(=O)O[C@@H](C)[C@@H]2CCCO2)C1
101
{ "fragment_index": 0, "new_substring": "C&(=O)C(=O)NO&", "old_substring": "C24=O" }
Can you make molecule O=C1COc2cc(C(=O)Nc3nc4c(s3)CCCC4)ccc2N1 less soluble in water? The output molecule should be similar to the input molecule.
CC(C)(CC(=O)Nc1nc2c(s1)CCCC2)c1ccc2c(c1)OCC(=O)N2
O=C1COc2cc(C(=O)Nc3nc4c(s3)CCCC4)ccc2N1
CC(C)(CC(=O)Nc1nc2c(s1)CCCC2)c1ccc2c(c1)OCC(=O)N2
102
{ "fragment_index": 0, "new_substring": "C&(=O)CC&(C)C", "old_substring": "C57=O" }
Can you make molecule CS(=O)(=O)N1CCCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 more soluble in water? The output molecule should be similar to the input molecule.
CS(=O)(=O)N1CCC[NH+](S(=O)(=O)c2ccc(F)c(F)c2)CC1
CS(=O)(=O)N1CCCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1
CS(=O)(=O)N1CCC[NH+](S(=O)(=O)c2ccc(F)c(F)c2)CC1
101
{ "fragment_index": 0, "new_substring": "N1&CCC[NH+]&CC1", "old_substring": "N13CCCN4CC1" }
Can you make molecule NC(=O)N1CCCN(C(=O)Nc2cc(Cl)ccc2Cl)CC1 less soluble in water? The output molecule should be similar to the input molecule.
CC(C)(CC(=O)N1CCCN(C(N)=O)CC1)Nc1cc(Cl)ccc1Cl
NC(=O)N1CCCN(C(=O)Nc2cc(Cl)ccc2Cl)CC1
CC(C)(CC(=O)N1CCCN(C(N)=O)CC1)Nc1cc(Cl)ccc1Cl
102
{ "fragment_index": 0, "new_substring": "C&(=O)CC&(C)C", "old_substring": "C45=O" }
Can you make molecule C[C@@H](N[C@H]1CCc2c(Cl)cc(Cl)cc21)c1nnc2ccccn12 more soluble in water? The output molecule should be similar to the input molecule.
C[C@@H](N[C@H]1CCc2c(Cl)cc(Cl)cc21)c1cn2ccnc2c(N)n1
C[C@@H](N[C@H]1CCc2c(Cl)cc(Cl)cc21)c1nnc2ccccn12
C[C@@H](N[C@H]1CCc2c(Cl)cc(Cl)cc21)c1cn2ccnc2c(N)n1
101
{ "fragment_index": 0, "new_substring": "Nc1nc&cn2ccnc12", "old_substring": "c14nnc2ccccn12" }
Can you make molecule C[C@H]1CN(Cc2ccccc2NC=C(C#N)C#N)C[C@H](C)O1 less soluble in water? The output molecule should be similar to the input molecule.
C[C@H]1CN(Cc2ccccc2NC2=C(C#N)CCC2)C[C@H](C)O1
C[C@H]1CN(Cc2ccccc2NC=C(C#N)C#N)C[C@H](C)O1
C[C@H]1CN(Cc2ccccc2NC2=C(C#N)CCC2)C[C@H](C)O1
102
{ "fragment_index": 0, "new_substring": "N#CC1=C(N&)CCC1", "old_substring": "N4C=C(C#N)C#N" }
Can you make molecule Nc1ccc(Cl)c(S(=O)(=O)N2CCN3C(=O)NC[C@H]3C2)c1 less soluble in water? The output molecule should be similar to the input molecule.
Nc1ccc(Cl)c(S(=O)(=O)N2CC[C@]3(CCOC3)C2)c1
Nc1ccc(Cl)c(S(=O)(=O)N2CCN3C(=O)NC[C@H]3C2)c1
Nc1ccc(Cl)c(S(=O)(=O)N2CC[C@]3(CCOC3)C2)c1
102
{ "fragment_index": 0, "new_substring": "N1&CC[C@]2(CCOC2)C1", "old_substring": "N14CCN2C(=O)NC[C@H]2C1" }
Can you make molecule COCCN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N(C)Cc2cnccn2)[C@H]3C1=O more soluble in water? The output molecule should be similar to the input molecule.
COCCN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N(C)Cc2cc(N)ncn2)[C@H]3C1=O
COCCN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N(C)Cc2cnccn2)[C@H]3C1=O
COCCN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N(C)Cc2cc(N)ncn2)[C@H]3C1=O
101
{ "fragment_index": 0, "new_substring": "Nc1cc&ncn1", "old_substring": "c19cnccn1" }
Can you make molecule C[C@@H](NC(=O)NC[C@H]1CCCN(c2ncccn2)C1)C1CCOCC1 less soluble in water? The output molecule should be similar to the input molecule.
C[C@@H](CCNC(=O)NC[C@H]1CCCN(c2ncccn2)C1)CC(=O)C1CCOCC1
C[C@@H](NC(=O)NC[C@H]1CCCN(c2ncccn2)C1)C1CCOCC1
C[C@@H](CCNC(=O)NC[C@H]1CCCN(c2ncccn2)C1)CC(=O)C1CCOCC1
102
{ "fragment_index": 0, "new_substring": "C[C@@H](CC&)CC&=O", "old_substring": "C[C@@H]58" }
Can you make molecule C[C@H]([NH2+][C@@H](C)C[C@@H](O)c1ccco1)c1nc2ccccc2n1C(F)F less soluble in water? The output molecule should be similar to the input molecule.
C[C@@H](C[C@@H](O)c1ccco1)[NH2+][C@H](CCl)CCCc1nc2ccccc2n1C(F)F
C[C@H]([NH2+][C@@H](C)C[C@@H](O)c1ccco1)c1nc2ccccc2n1C(F)F
C[C@@H](C[C@@H](O)c1ccco1)[NH2+][C@H](CCl)CCCc1nc2ccccc2n1C(F)F
102
{ "fragment_index": 0, "new_substring": "[C@@H]&(CCl)CCC&", "old_substring": "[C@@H]47C" }
Can you make molecule C=CCN1C(=O)C(=Cc2c(-c3ccccc3)[nH]c3ccccc23)C(=O)N=C1[O-] less soluble in water? The output molecule should be similar to the input molecule.
C=CCN1C(=O)C(=Cc2c(-c3cccc(Br)c3)[nH]c3ccccc23)C(=O)N=C1[O-]
C=CCN1C(=O)C(=Cc2c(-c3ccccc3)[nH]c3ccccc23)C(=O)N=C1[O-]
C=CCN1C(=O)C(=Cc2c(-c3cccc(Br)c3)[nH]c3ccccc23)C(=O)N=C1[O-]
102
{ "fragment_index": 0, "new_substring": "Brc1cccc&c1", "old_substring": "c16ccccc1" }
Can you make molecule CC(C)[C@@H](C)CC(=O)NNC(=S)NC1CCCCC1 less soluble in water? The output molecule should be similar to the input molecule.
CC(C)[C@@H](C)CC(=O)NNC(=S)NSC1=CCCCCC1
CC(C)[C@@H](C)CC(=O)NNC(=S)NC1CCCCC1
CC(C)[C@@H](C)CC(=O)NNC(=S)NSC1=CCCCCC1
102
{ "fragment_index": 0, "new_substring": "C1=C(S&)CCCCC1", "old_substring": "C12CCCCC1" }
Can you make molecule O=C(Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1)C1=Cc2ccccc2OC1 more soluble in water? The output molecule should be similar to the input molecule.
O=Cc1cccc(Nc2cccc(S(=O)(=O)/N=C3/CCCN3)c2)c1O
O=C(Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1)C1=Cc2ccccc2OC1
O=Cc1cccc(Nc2cccc(S(=O)(=O)/N=C3/CCCN3)c2)c1O
101
{ "fragment_index": 0, "new_substring": "O=Cc1cccc&c1O", "old_substring": "O=C3C1=Cc2ccccc2OC1" }
Can you make molecule C[C@@H]1[C@H](C)[S@@+]([O-])CCN1C(=O)CSCc1ccc(Cl)cc1 less soluble in water? The output molecule should be similar to the input molecule.
C[C@@H]1[C@H](C)[S@@+]([O-])CCN1C(=O)CSCSCc1ccc(Cl)cc1
C[C@@H]1[C@H](C)[S@@+]([O-])CCN1C(=O)CSCc1ccc(Cl)cc1
C[C@@H]1[C@H](C)[S@@+]([O-])CCN1C(=O)CSCSCc1ccc(Cl)cc1
102
{ "fragment_index": 0, "new_substring": "S&CS&", "old_substring": "S45" }
Can you make molecule Cc1c(F)cccc1NC(=O)NCCCC[NH+]1CCC[C@@H](C)C1 less soluble in water? The output molecule should be similar to the input molecule.
Cc1c(F)cccc1Nc1cc(C)n(NCCCC[NH+]2CCC[C@@H](C)C2)c(=O)c1
Cc1c(F)cccc1NC(=O)NCCCC[NH+]1CCC[C@@H](C)C1
Cc1c(F)cccc1Nc1cc(C)n(NCCCC[NH+]2CCC[C@@H](C)C2)c(=O)c1
102
{ "fragment_index": 0, "new_substring": "Cc1cc&cc(=O)n1&", "old_substring": "C23=O" }
Can you make molecule C[C@H]1CCCN(C(=O)C2C(C)(C)C2(C)C)[C@@H]1C[NH3+] less soluble in water? The output molecule should be similar to the input molecule.
C[C@H]1CCCN(CC(=C=O)CC2C(C)(C)C2(C)C)[C@@H]1C[NH3+]
C[C@H]1CCCN(C(=O)C2C(C)(C)C2(C)C)[C@@H]1C[NH3+]
C[C@H]1CCCN(CC(=C=O)CC2C(C)(C)C2(C)C)[C@@H]1C[NH3+]
102
{ "fragment_index": 0, "new_substring": "C&C(=C=O)C&", "old_substring": "C34=O" }
Can you make molecule C[C@H](Cc1ccc(O)cc1)N(C)C(=O)CCSc1ccc(C#N)cc1 more soluble in water? The output molecule should be similar to the input molecule.
C[C@H](C(=O)NOc1ccc(O)cc1)N(C)C(=O)CCSc1ccc(C#N)cc1
C[C@H](Cc1ccc(O)cc1)N(C)C(=O)CCSc1ccc(C#N)cc1
C[C@H](C(=O)NOc1ccc(O)cc1)N(C)C(=O)CCSc1ccc(C#N)cc1
101
{ "fragment_index": 0, "new_substring": "C[C@@H]&C(=O)NO&", "old_substring": "C[C@@H]3C5" }
Can you make molecule C[C@H]1COC2(CCN(Cc3cc4ccccc4s3)CC2)O1 more soluble in water? The output molecule should be similar to the input molecule.
C[C@H]1COC2(CCN(Cc3csc4ncccc34)CC2)O1
C[C@H]1COC2(CCN(Cc3cc4ccccc4s3)CC2)O1
C[C@H]1COC2(CCN(Cc3csc4ncccc34)CC2)O1
101
{ "fragment_index": 0, "new_substring": "c1cnc2scc&c2c1", "old_substring": "c16cc2ccccc2s1" }
Can you make molecule CCC[NH2+]C1CCC(O)(Cc2nc(C)cs2)CC1 more soluble in water? The output molecule should be similar to the input molecule.
CCC[NH2+]C1CCC(O)(Cc2nc(C)ns2)CC1
CCC[NH2+]C1CCC(O)(Cc2nc(C)cs2)CC1
CCC[NH2+]C1CCC(O)(Cc2nc(C)ns2)CC1
101
{ "fragment_index": 0, "new_substring": "c1&nc(C)ns1", "old_substring": "c15nc(C)cs1" }
Can you make molecule C[NH2+]Cc1ccc(OC)c(C[NH+]2C[C@H](C)[C@@H](C)C2)c1 more soluble in water? The output molecule should be similar to the input molecule.
C[NH2+]C(=O)NOc1ccc(OC)c(C[NH+]2C[C@H](C)[C@@H](C)C2)c1
C[NH2+]Cc1ccc(OC)c(C[NH+]2C[C@H](C)[C@@H](C)C2)c1
C[NH2+]C(=O)NOc1ccc(OC)c(C[NH+]2C[C@H](C)[C@@H](C)C2)c1
101
{ "fragment_index": 0, "new_substring": "C&(=O)NO&", "old_substring": "C46" }
Can you make molecule CC[C@H](C(=O)Nc1cc(Cl)cc(Br)c1O)N1CCCC1=O less soluble in water? The output molecule should be similar to the input molecule.
CC[C@H](C(=O)Nc1cc(Cl)cc(Br)c1O)N1CCCSCC1
CC[C@H](C(=O)Nc1cc(Cl)cc(Br)c1O)N1CCCC1=O
CC[C@H](C(=O)Nc1cc(Cl)cc(Br)c1O)N1CCCSCC1
102
{ "fragment_index": 0, "new_substring": "N1&CCCSCC1", "old_substring": "N14CCCC1=O" }
Can you make molecule CC(C)(C)OC(=O)N1CCC[C@@H](COS(C)(=O)=O)C1 more soluble in water? The output molecule should be similar to the input molecule.
CC(C)(C)OCCS(=O)(=O)N1CCC[C@@H](COS(C)(=O)=O)C1
CC(C)(C)OC(=O)N1CCC[C@@H](COS(C)(=O)=O)C1
CC(C)(C)OCCS(=O)(=O)N1CCC[C@@H](COS(C)(=O)=O)C1
101
{ "fragment_index": 0, "new_substring": "C&CS&(=O)=O", "old_substring": "C23=O" }
Can you make molecule CC(C)[NH+](C)CCNCc1cnc(-c2cccs2)s1 less soluble in water? The output molecule should be similar to the input molecule.
CC(C)[NH+](C)CCNCc1cnc(-c2csc(I)c2)s1
CC(C)[NH+](C)CCNCc1cnc(-c2cccs2)s1
CC(C)[NH+](C)CCNCc1cnc(-c2csc(I)c2)s1
102
{ "fragment_index": 0, "new_substring": "c1&csc(I)c1", "old_substring": "c18cccs1" }
Can you make molecule COCCC[NH2+][C@H](C)[C@H]1CCC[NH+](C)C1 more soluble in water? The output molecule should be similar to the input molecule.
C[C@@H]([NH2+]CCCC(CO)CO)[C@H]1CCC[NH+](C)C1
COCCC[NH2+][C@H](C)[C@H]1CCC[NH+](C)C1
C[C@@H]([NH2+]CCCC(CO)CO)[C@H]1CCC[NH+](C)C1
101
{ "fragment_index": 0, "new_substring": "C&(CO)CO", "old_substring": "CO2" }
Can you make molecule CCCn1ncc(C[NH2+]C)c1C(F)(F)F more soluble in water? The output molecule should be similar to the input molecule.
CCCn1ncc(C2=C3NCN3CN([NH2+]C)N=C2)c1C(F)(F)F
CCCn1ncc(C[NH2+]C)c1C(F)(F)F
CCCn1ncc(C2=C3NCN3CN([NH2+]C)N=C2)c1C(F)(F)F
101
{ "fragment_index": 0, "new_substring": "N1&CNc2c&cnn2C1", "old_substring": "C25" }
Can you make molecule COc1cc(C=Cc2cc(C(=O)[O-])c3ccccc3n2)ccc1OCC(=O)[O-] less soluble in water? The output molecule should be similar to the input molecule.
COc1cc(C=Cc2cc(CCCS(=O)(=O)[O-])c3ccccc3n2)ccc1OCC(=O)[O-]
COc1cc(C=Cc2cc(C(=O)[O-])c3ccccc3n2)ccc1OCC(=O)[O-]
COc1cc(C=Cc2cc(CCCS(=O)(=O)[O-])c3ccccc3n2)ccc1OCC(=O)[O-]
102
{ "fragment_index": 0, "new_substring": "C&CCS(=O)(=O)[O-]", "old_substring": "C7(=O)[O-]" }
Can you make molecule Cc1cc(C)cc(O[C@H]2CCCC(C)(C)[C@@H]2O)c1 more soluble in water? The output molecule should be similar to the input molecule.
Cc1cc(O[C@H]2CCCC(C)(C)[C@@H]2O)c(C)cc1O
Cc1cc(C)cc(O[C@H]2CCCC(C)(C)[C@@H]2O)c1
Cc1cc(O[C@H]2CCCC(C)(C)[C@@H]2O)c(C)cc1O
101
{ "fragment_index": 0, "new_substring": "Cc1cc&c(C)cc1O", "old_substring": "Cc1cc4cc(C)c1" }
Can you make molecule C[C@@H]1Oc2ccc(N[C@H](C(=O)NC3CC3)c3ccccc3)cc2NC1=O more soluble in water? The output molecule should be similar to the input molecule.
C[C@@H]1Oc2ccc(N[C@H](C(=O)NC3COC3)c3ccccc3)cc2NC1=O
C[C@@H]1Oc2ccc(N[C@H](C(=O)NC3CC3)c3ccccc3)cc2NC1=O
C[C@@H]1Oc2ccc(N[C@H](C(=O)NC3COC3)c3ccccc3)cc2NC1=O
101
{ "fragment_index": 0, "new_substring": "C1&COC1", "old_substring": "C17CC1" }
Can you make molecule C[C@@](O)(CNC(=O)C1CCCC1)c1cccs1 less soluble in water? The output molecule should be similar to the input molecule.
C[C@@](O)(CNC(=O)CCCC(=O)C1CCCC1)c1cccs1
C[C@@](O)(CNC(=O)C1CCCC1)c1cccs1
C[C@@](O)(CNC(=O)CCCC(=O)C1CCCC1)c1cccs1
102
{ "fragment_index": 0, "new_substring": "C&(=O)CCCC&=O", "old_substring": "C24=O" }
Can you make molecule O=[N+]([O-])c1c(Nc2ccc(F)c(F)c2)ncnc1Oc1cccc2cccnc12 less soluble in water? The output molecule should be similar to the input molecule.
CN(C(=S)Sc1ccc(F)c(F)c1)c1ncnc(Oc2cccc3cccnc23)c1[N+](=O)[O-]
O=[N+]([O-])c1c(Nc2ccc(F)c(F)c2)ncnc1Oc1cccc2cccnc12
CN(C(=S)Sc1ccc(F)c(F)c1)c1ncnc(Oc2cccc3cccnc23)c1[N+](=O)[O-]
102
{ "fragment_index": 0, "new_substring": "CN&C(=S)S&", "old_substring": "N56" }
Can you make molecule Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 less soluble in water? The output molecule should be similar to the input molecule.
CCC(CC)(C(=O)[O-])c1ccc(C)c(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1
Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1
CCC(CC)(C(=O)[O-])c1ccc(C)c(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1
102
{ "fragment_index": 0, "new_substring": "CCC&(CC)C(=O)[O-]", "old_substring": "C6(=O)[O-]" }
Can you make molecule CC(=O)N[C@@H](C)c1nc2ccccc2n1CCOc1ccc(C)c(C)c1 more soluble in water? The output molecule should be similar to the input molecule.
CC(=O)N[C@@H](C)c1nc2ccccc2n1CCOc1ccc(F)c(N)c1
CC(=O)N[C@@H](C)c1nc2ccccc2n1CCOc1ccc(C)c(C)c1
CC(=O)N[C@@H](C)c1nc2ccccc2n1CCOc1ccc(F)c(N)c1
101
{ "fragment_index": 0, "new_substring": "c1&ccc(F)c(N)c1", "old_substring": "c15ccc(C)c(C)c1" }
Can you make molecule Cc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1S(=O)(=O)N1CCOCC1 more soluble in water? The output molecule should be similar to the input molecule.
Cc1ccc(C(=O)NNC(=O)N[C@@H](C)c2ccccc2)cc1S(=O)(=O)N1CCOCC1
Cc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1S(=O)(=O)N1CCOCC1
Cc1ccc(C(=O)NNC(=O)N[C@@H](C)c2ccccc2)cc1S(=O)(=O)N1CCOCC1
101
{ "fragment_index": 0, "new_substring": "C&(=O)NNC&=O", "old_substring": "C36=O" }
Can you make molecule CC[C@H](C)[C@@H]1CCCC[C@H]([NH2+]C)C1 less soluble in water? The output molecule should be similar to the input molecule.
CC[C@@H](Cl)CCC[C@@H]1CCCC[C@H]([NH2+]C)C1
CC[C@H](C)[C@@H]1CCCC[C@H]([NH2+]C)C1
CC[C@@H](Cl)CCC[C@@H]1CCCC[C@H]([NH2+]C)C1
102
{ "fragment_index": 0, "new_substring": "CC[C@@H](Cl)CCC&", "old_substring": "CC[C@@H]3C" }
Can you make molecule NNC(=O)[C@@H]1CC[C@H](CSc2cccc(F)c2)O1 more soluble in water? The output molecule should be similar to the input molecule.
NNC(=O)[C@@H]1CC[C@H](N2CCN(Sc3cccc(F)c3)CC2)O1
NNC(=O)[C@@H]1CC[C@H](CSc2cccc(F)c2)O1
NNC(=O)[C@@H]1CC[C@H](N2CCN(Sc3cccc(F)c3)CC2)O1
101
{ "fragment_index": 0, "new_substring": "N1&CCN&CC1", "old_substring": "C35" }
Can you make molecule CC(C)[C@H](O)CCNC(=O)C(=O)Nc1ccn(-c2ncccc2Cl)n1 less soluble in water? The output molecule should be similar to the input molecule.
CC(C)[C@H](O)CCNC(=O)CCCC(=O)Nc1ccn(-c2ncccc2Cl)n1
CC(C)[C@H](O)CCNC(=O)C(=O)Nc1ccn(-c2ncccc2Cl)n1
CC(C)[C@H](O)CCNC(=O)CCCC(=O)Nc1ccn(-c2ncccc2Cl)n1
102
{ "fragment_index": 0, "new_substring": "C&(=O)CCCC&=O", "old_substring": "C3(=O)C4=O" }
Can you make molecule O=C(C1=C([O-])C(=O)N(Cc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 less soluble in water? The output molecule should be similar to the input molecule.
O=C(C1=C([O-])C(=O)N(Cc2ccccc2Cl)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1
O=C(C1=C([O-])C(=O)N(Cc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1
O=C(C1=C([O-])C(=O)N(Cc2ccccc2Cl)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1
102
{ "fragment_index": 0, "new_substring": "c1&ccccc1Cl", "old_substring": "c15ccccc1" }
Can you make molecule Cc1ccc(C(=O)N2CCC(N3CCCC3=O)CC2)cc1[N+](=O)[O-] less soluble in water? The output molecule should be similar to the input molecule.
Cc1ccc(C(=O)N2CCC(N3CCCCCC3)CC2)cc1[N+](=O)[O-]
Cc1ccc(C(=O)N2CCC(N3CCCC3=O)CC2)cc1[N+](=O)[O-]
Cc1ccc(C(=O)N2CCC(N3CCCCCC3)CC2)cc1[N+](=O)[O-]
102
{ "fragment_index": 0, "new_substring": "N1&CCCCCC1", "old_substring": "N16CCCC1=O" }
Can you make molecule C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H](CO)c1ccccc1F more soluble in water? The output molecule should be similar to the input molecule.
C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CN(c2ccccc2F)CCNC1=O
C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H](CO)c1ccccc1F
C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CN(c2ccccc2F)CCNC1=O
101
{ "fragment_index": 0, "new_substring": "[C@@H]1&CN&CCNC1=O", "old_substring": "[C@@H]46CO" }
Can you make molecule O[C@@H]1C[C@H](C2CCCCC2)[NH+](Cc2cccc3[nH]ccc23)C1 less soluble in water? The output molecule should be similar to the input molecule.
N#CC1([C@H]2C[C@@H](O)C[NH+]2Cc2cccc3[nH]ccc23)CCCCCCC1
O[C@@H]1C[C@H](C2CCCCC2)[NH+](Cc2cccc3[nH]ccc23)C1
N#CC1([C@H]2C[C@@H](O)C[NH+]2Cc2cccc3[nH]ccc23)CCCCCCC1
102
{ "fragment_index": 0, "new_substring": "C1&(C#N)CCCCCCC1", "old_substring": "C16CCCCC1" }
Can you make molecule Cc1nc(C2CCN(C(=O)N[C@H]3CCCN(c4cnn(C)c4)C3)CC2)no1 less soluble in water? The output molecule should be similar to the input molecule.
Cc1nc(C2CCN(C(=O)N[C@H]3CCCN(n4nc(C)c(C)c4C)C3)CC2)no1
Cc1nc(C2CCN(C(=O)N[C@H]3CCCN(c4cnn(C)c4)C3)CC2)no1
Cc1nc(C2CCN(C(=O)N[C@H]3CCCN(n4nc(C)c(C)c4C)C3)CC2)no1
102
{ "fragment_index": 0, "new_substring": "Cc1nn&c(C)c1C", "old_substring": "c17cnn(C)c1" }
Can you make molecule Cc1ccc(C)c([C@@H](O)[C@@H](C)[C@@H](C)C(=O)[O-])c1 more soluble in water? The output molecule should be similar to the input molecule.
Cc1cnc([C@@H](O)[C@@H](C)[C@@H](C)C(=O)[O-])c(C)c1
Cc1ccc(C)c([C@@H](O)[C@@H](C)[C@@H](C)C(=O)[O-])c1
Cc1cnc([C@@H](O)[C@@H](C)[C@@H](C)C(=O)[O-])c(C)c1
101
{ "fragment_index": 0, "new_substring": "Cc1cnc&c(C)c1", "old_substring": "Cc1ccc(C)c2c1" }
Can you make molecule [O-]c1[nH]c(=S)nnc1Cc1ccc(F)cc1 less soluble in water? The output molecule should be similar to the input molecule.
[O-]c1[nH]c(=S)nnc1Cc1ccc(F)c(Cl)c1
[O-]c1[nH]c(=S)nnc1Cc1ccc(F)cc1
[O-]c1[nH]c(=S)nnc1Cc1ccc(F)c(Cl)c1
102
{ "fragment_index": 0, "new_substring": "c1&ccc(F)c(Cl)c1", "old_substring": "c13ccc(F)cc1" }
Can you make molecule C[NH+](CC(=O)N1CCOC1=O)CC1CC[NH2+]CC1 more soluble in water? The output molecule should be similar to the input molecule.
CC/[NH+]=C(\NCC(=O)N1CCOC1=O)NCC1CC[NH2+]CC1
C[NH+](CC(=O)N1CCOC1=O)CC1CC[NH2+]CC1
CC/[NH+]=C(\NCC(=O)N1CCOC1=O)NCC1CC[NH2+]CC1
101
{ "fragment_index": 0, "new_substring": "CC/[NH+]=C(\\N&)N&", "old_substring": "C[NH+]34" }
Can you make molecule CCCCNC(=O)CCc1c(C)nc2c3ccccc3nn2c1C more soluble in water? The output molecule should be similar to the input molecule.
CCCCS(=O)(=O)NC(=O)CCc1c(C)nc2c3ccccc3nn2c1C
CCCCNC(=O)CCc1c(C)nc2c3ccccc3nn2c1C
CCCCS(=O)(=O)NC(=O)CCc1c(C)nc2c3ccccc3nn2c1C
101
{ "fragment_index": 0, "new_substring": "CCCCS&(=O)=O", "old_substring": "CCCC5" }
Can you make molecule CCc1ccc([C@H](N)CC[NH+](CC)CC)cc1 less soluble in water? The output molecule should be similar to the input molecule.
CC[NH+](CC)CC[C@@H](N)c1ccc(C(C)C)cc1
CCc1ccc([C@H](N)CC[NH+](CC)CC)cc1
CC[NH+](CC)CC[C@@H](N)c1ccc(C(C)C)cc1
102
{ "fragment_index": 0, "new_substring": "C&(C)C", "old_substring": "CC5" }
Can you make molecule COc1ccc(OCCOc2cccc(Br)c2)cc1 more soluble in water? The output molecule should be similar to the input molecule.
OCC(CO)c1ccc(OCCOc2cccc(Br)c2)cc1
COc1ccc(OCCOc2cccc(Br)c2)cc1
OCC(CO)c1ccc(OCCOc2cccc(Br)c2)cc1
101
{ "fragment_index": 0, "new_substring": "C&(CO)CO", "old_substring": "CO5" }
Can you make molecule Cc1csc(C2([NH2+]Cc3cnc(-c4ccsc4)s3)CCCC2)n1 more soluble in water? The output molecule should be similar to the input molecule.
Cc1csc(C2([NH2+]Cc3cnc(-c4cncs4)s3)CCCC2)n1
Cc1csc(C2([NH2+]Cc3cnc(-c4ccsc4)s3)CCCC2)n1
Cc1csc(C2([NH2+]Cc3cnc(-c4cncs4)s3)CCCC2)n1
101
{ "fragment_index": 0, "new_substring": "c1&cncs1", "old_substring": "c19ccsc1" }
Can you make molecule Cc1cc([C@](C)(O)CNC(=O)[C@H]2CCCN2C(=O)CC(C)(C)C)c(C)o1 less soluble in water? The output molecule should be similar to the input molecule.
Cc1cc([C@H](C)N(C)ONC(=O)[C@H]2CCCN2C(=O)CC(C)(C)C)c(C)o1
Cc1cc([C@](C)(O)CNC(=O)[C@H]2CCCN2C(=O)CC(C)(C)C)c(C)o1
Cc1cc([C@H](C)N(C)ONC(=O)[C@H]2CCCN2C(=O)CC(C)(C)C)c(C)o1
102
{ "fragment_index": 0, "new_substring": "[C@@H]&(C)N(C)O&", "old_substring": "[C@]7(C)(O)C5" }
Can you make molecule FC(F)(Cl)Oc1ccccc1 less soluble in water? The output molecule should be similar to the input molecule.
FC(F)C(F)(F)Cc1ccccc1
FC(F)(Cl)Oc1ccccc1
FC(F)C(F)(F)Cc1ccccc1
102
{ "fragment_index": 0, "new_substring": "C&C(F)(F)C(F)F", "old_substring": "FC(F)(Cl)O2" }
Can you make molecule CC(C)CNC(=O)[C@](C)(N)C(F)(F)F more soluble in water? The output molecule should be similar to the input molecule.
CC(C)(CO)NC(=O)[C@](C)(N)C(F)(F)F
CC(C)CNC(=O)[C@](C)(N)C(F)(F)F
CC(C)(CO)NC(=O)[C@](C)(N)C(F)(F)F
101
{ "fragment_index": 0, "new_substring": "CC&(C)CO", "old_substring": "CC(C)C2" }
Can you make molecule COc1cccc(CC(=O)N2CCC[C@@H](c3ccc(Cc4ccccc4)cn3)C2)c1 less soluble in water? The output molecule should be similar to the input molecule.
COc1cccc(CC(=O)N2C[CH]CCCC2)c1.c1ccc(Cc2cccnc2)cc1
COc1cccc(CC(=O)N2CCC[C@@H](c3ccc(Cc4ccccc4)cn3)C2)c1
COc1cccc(CC(=O)N2C[CH]CCCC2)c1.c1ccc(Cc2cccnc2)cc1
102
{ "fragment_index": 0, "new_substring": "N1&CCCC[C@@H]&C1", "old_substring": "N15CCC[C@@H]%10C1" }
Can you make molecule N#C[C@@H](C(=O)c1ccc(Cl)cc1)c1nc(N)nc(Nc2ccccc2)n1 more soluble in water? The output molecule should be similar to the input molecule.
N#C[C@@H](C(=O)c1ccc(Cl)cc1)c1nc(N)nc(Nc2cccc(N)c2)n1
N#C[C@@H](C(=O)c1ccc(Cl)cc1)c1nc(N)nc(Nc2ccccc2)n1
N#C[C@@H](C(=O)c1ccc(Cl)cc1)c1nc(N)nc(Nc2cccc(N)c2)n1
101
{ "fragment_index": 0, "new_substring": "c1&cccc(N)c1", "old_substring": "c14ccccc1" }
Can you make molecule Cc1nc([C@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c2ccccc2)n[nH]1 less soluble in water? The output molecule should be similar to the input molecule.
Cc1nc([C@H]2CC(Nc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])C[C@@H](c3ccccc3)C2)n[nH]1
Cc1nc([C@H](Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c2ccccc2)n[nH]1
Cc1nc([C@H]2CC(Nc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])C[C@@H](c3ccccc3)C2)n[nH]1
102
{ "fragment_index": 0, "new_substring": "C1&C[C@H]&C[C@H]&C1", "old_substring": "[C@H]356" }
Can you make molecule CNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 more soluble in water? The output molecule should be similar to the input molecule.
CN(C)NC(=O)C(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1
CNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1
CN(C)NC(=O)C(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1
101
{ "fragment_index": 0, "new_substring": "CN(C)NC&=O", "old_substring": "CN3" }
Can you make molecule Cc1nc(N2CCOCC2)c2c(C(=O)N3CCc4ccccc43)c(C)oc2n1 more soluble in water? The output molecule should be similar to the input molecule.
Cc1nc([NH+]2CCOCC2)c2c(C(=O)N3CCc4ccccc43)c(C)oc2n1
Cc1nc(N2CCOCC2)c2c(C(=O)N3CCc4ccccc43)c(C)oc2n1
Cc1nc([NH+]2CCOCC2)c2c(C(=O)N3CCc4ccccc43)c(C)oc2n1
101
{ "fragment_index": 0, "new_substring": "[NH+]1&CCOCC1", "old_substring": "N16CCOCC1" }
Can you make molecule O=C(c1ccc(N2CCOC2=O)cc1)N(CCc1ccccc1)Cc1ccccc1 less soluble in water? The output molecule should be similar to the input molecule.
O=C(c1ccc(N2CCOC2=O)cc1)N(CCc1ccccc1)Cc1ccccc1Cl
O=C(c1ccc(N2CCOC2=O)cc1)N(CCc1ccccc1)Cc1ccccc1
O=C(c1ccc(N2CCOC2=O)cc1)N(CCc1ccccc1)Cc1ccccc1Cl
102
{ "fragment_index": 0, "new_substring": "c1&ccccc1Cl", "old_substring": "c18ccccc1" }
Can you make molecule Cc1nc2scc(C)n2c1CNc1ccc(C(=O)[O-])cc1 more soluble in water? The output molecule should be similar to the input molecule.
Cc1nc2scc(C)n2c1ONC(=O)Nc1ccc(C(=O)[O-])cc1
Cc1nc2scc(C)n2c1CNc1ccc(C(=O)[O-])cc1
Cc1nc2scc(C)n2c1ONC(=O)Nc1ccc(C(=O)[O-])cc1
101
{ "fragment_index": 0, "new_substring": "C&(=O)NO&", "old_substring": "C36" }
Can you make molecule C#CCCCCNC(=O)[C@H]1COc2ccc(F)cc2C1 more soluble in water? The output molecule should be similar to the input molecule.
C#CCCCCNN1C(=O)CN([C@H]2COc3ccc(F)cc3C2)C1=O
C#CCCCCNC(=O)[C@H]1COc2ccc(F)cc2C1
C#CCCCCNN1C(=O)CN([C@H]2COc3ccc(F)cc3C2)C1=O
101
{ "fragment_index": 0, "new_substring": "N1&C(=O)CN&C1=O", "old_substring": "C35=O" }
Can you make molecule CCNC(=O)c1cccc(NC(=O)NNc2ccc(Cl)nn2)c1 more soluble in water? The output molecule should be similar to the input molecule.
CONC(=O)NC(=O)c1cccc(NC(=O)NNc2ccc(Cl)nn2)c1
CCNC(=O)c1cccc(NC(=O)NNc2ccc(Cl)nn2)c1
CONC(=O)NC(=O)c1cccc(NC(=O)NNc2ccc(Cl)nn2)c1
101
{ "fragment_index": 0, "new_substring": "CONC&=O", "old_substring": "CC5" }
Can you make molecule CCC[C@@H](C)C(=O)Nc1cc(C(=O)N[C@H](C)c2ccccc2)ccc1C less soluble in water? The output molecule should be similar to the input molecule.
CCCC[C@@H](Br)C(=O)Nc1cc(C(=O)N[C@H](C)c2ccccc2)ccc1C
CCC[C@@H](C)C(=O)Nc1cc(C(=O)N[C@H](C)c2ccccc2)ccc1C
CCCC[C@@H](Br)C(=O)Nc1cc(C(=O)N[C@H](C)c2ccccc2)ccc1C
102
{ "fragment_index": 0, "new_substring": "CCCC[C@@H](Br)C&=O", "old_substring": "CCC[C@@H](C)C3=O" }
Can you make molecule Cc1cn2c(CN(C)C(=O)[C@H]3Oc4ccccc4[C@H]3C)c(C)nc2s1 more soluble in water? The output molecule should be similar to the input molecule.
Cc1cn2c(CN(C)C(=O)CS(=O)(=O)[C@H]3Oc4ccccc4[C@H]3C)c(C)nc2s1
Cc1cn2c(CN(C)C(=O)[C@H]3Oc4ccccc4[C@H]3C)c(C)nc2s1
Cc1cn2c(CN(C)C(=O)CS(=O)(=O)[C@H]3Oc4ccccc4[C@H]3C)c(C)nc2s1
101
{ "fragment_index": 0, "new_substring": "C&(=O)CS&(=O)=O", "old_substring": "C57=O" }
Can you make molecule CCN(C(=O)[C@@H]1COc2ccc(F)cc2C1)[C@H](C)CS(C)(=O)=O more soluble in water? The output molecule should be similar to the input molecule.
CCN([C@H](C)CS(C)(=O)=O)N1C(=O)CN([C@@H]2COc3ccc(F)cc3C2)C1=O
CCN(C(=O)[C@@H]1COc2ccc(F)cc2C1)[C@H](C)CS(C)(=O)=O
CCN([C@H](C)CS(C)(=O)=O)N1C(=O)CN([C@@H]2COc3ccc(F)cc3C2)C1=O
101
{ "fragment_index": 0, "new_substring": "N1&C(=O)CN&C1=O", "old_substring": "C36=O" }
Can you make molecule COc1c(/C=N\NC(N)=S)c(C[C@@H](C)Cl)c(OC)c2c1OCO2 more soluble in water? The output molecule should be similar to the input molecule.
COc1c(C[C@@H](C)Cl)c(/C=N\NC(N)=S)c(C(O)O)c2c1OCO2
COc1c(/C=N\NC(N)=S)c(C[C@@H](C)Cl)c(OC)c2c1OCO2
COc1c(C[C@@H](C)Cl)c(/C=N\NC(N)=S)c(C(O)O)c2c1OCO2
101
{ "fragment_index": 0, "new_substring": "C&(O)O", "old_substring": "CO3" }
Can you make molecule CC1(C)CN(CC(=O)N2CCCC2)c2ccc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)cc21 more soluble in water? The output molecule should be similar to the input molecule.
CC1(C)CN(N2CCN(N3CCCC3)C(=O)C2=O)c2ccc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)cc21
CC1(C)CN(CC(=O)N2CCCC2)c2ccc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)cc21
CC1(C)CN(N2CCN(N3CCCC3)C(=O)C2=O)c2ccc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)cc21
101
{ "fragment_index": 0, "new_substring": "N1&CCN&C(=O)C1=O", "old_substring": "C6C5=O" }
Can you make molecule CN(Cc1ccno1)Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn12 less soluble in water? The output molecule should be similar to the input molecule.
Cc1cnccc1CN(C)Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn12
CN(Cc1ccno1)Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn12
Cc1cnccc1CN(C)Cc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)nc2ccccn12
102
{ "fragment_index": 0, "new_substring": "c1&ccncc1C", "old_substring": "c19ccno1" }
Can you make molecule O=C(c1cccc(Oc2ccccc2)c1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 less soluble in water? The output molecule should be similar to the input molecule.
Cc1ccc(Oc2cccc(C(=O)N3CCN(S(=O)(=O)c4ccccc4F)CC3)c2)cc1I
O=C(c1cccc(Oc2ccccc2)c1)N1CCN(S(=O)(=O)c2ccccc2F)CC1
Cc1ccc(Oc2cccc(C(=O)N3CCN(S(=O)(=O)c4ccccc4F)CC3)c2)cc1I
102
{ "fragment_index": 0, "new_substring": "Cc1ccc&cc1I", "old_substring": "c15ccccc1" }
Can you make molecule O=C(CCC1CCOCC1)NCCc1ccc[nH]1 more soluble in water? The output molecule should be similar to the input molecule.
CN(CC(=O)NC(=O)CCC1CCOCC1)Oc1ccc[nH]1
O=C(CCC1CCOCC1)NCCc1ccc[nH]1
CN(CC(=O)NC(=O)CCC1CCOCC1)Oc1ccc[nH]1
101
{ "fragment_index": 0, "new_substring": "CN(CC&=O)O&", "old_substring": "C3C4" }
Can you make molecule COc1ccc(-c2nnc3sc(-c4ccccc4Cl)nn23)cc1OC less soluble in water? The output molecule should be similar to the input molecule.
COCSc1ccc(-c2nnc3sc(-c4ccccc4Cl)nn23)cc1OC
COc1ccc(-c2nnc3sc(-c4ccccc4Cl)nn23)cc1OC
COCSc1ccc(-c2nnc3sc(-c4ccccc4Cl)nn23)cc1OC
102
{ "fragment_index": 0, "new_substring": "COCS&", "old_substring": "CO5" }
Can you make molecule Cn1c(SCC(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)nnc1C(F)(F)F more soluble in water? The output molecule should be similar to the input molecule.
Nn1c(SCC(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)nnc1C(F)(F)F
Cn1c(SCC(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)nnc1C(F)(F)F
Nn1c(SCC(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)nnc1C(F)(F)F
101
{ "fragment_index": 0, "new_substring": "c1&nnc&n1N", "old_substring": "Cn1c7nnc19" }
Can you make molecule O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(NCc2ccccc2)nc1 less soluble in water? The output molecule should be similar to the input molecule.
O=C(Nc1ccc(CCCC(F)(F)F)cc1)c1ccc(NCc2ccccc2)nc1
O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(NCc2ccccc2)nc1
O=C(Nc1ccc(CCCC(F)(F)F)cc1)c1ccc(NCc2ccccc2)nc1
102
{ "fragment_index": 0, "new_substring": "C&CCC(F)(F)F", "old_substring": "C8(F)(F)F" }
Can you make molecule COc1cccc(CN2CCc3nnc(CCc4ccccc4)n3CC2)c1 less soluble in water? The output molecule should be similar to the input molecule.
COc1cccc(CN2CCc3nnc(CCCCCc4ccccc4)n3CC2)c1
COc1cccc(CN2CCc3nnc(CCc4ccccc4)n3CC2)c1
COc1cccc(CN2CCc3nnc(CCCCCc4ccccc4)n3CC2)c1
102
{ "fragment_index": 0, "new_substring": "C&CCCC&", "old_substring": "C7C9" }
Can you make molecule CC(C)(C)C(=O)[C@@H]1[C@@H](C(=O)c2cccnc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 less soluble in water? The output molecule should be similar to the input molecule.
Cc1ccc(C(=O)[C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c(C)n1
CC(C)(C)C(=O)[C@@H]1[C@@H](C(=O)c2cccnc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12
Cc1ccc(C(=O)[C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccccc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c(C)n1
102
{ "fragment_index": 0, "new_substring": "c1&ccc(C)nc1C", "old_substring": "c16cccnc1" }
Can you make molecule COc1ccc(OCCOc2cccc(Br)c2)cc1 more soluble in water? The output molecule should be similar to the input molecule.
OC(O)c1ccc(OCCOc2cccc(Br)c2)cc1
COc1ccc(OCCOc2cccc(Br)c2)cc1
OC(O)c1ccc(OCCOc2cccc(Br)c2)cc1
101
{ "fragment_index": 0, "new_substring": "C&(O)O", "old_substring": "CO5" }
Can you make molecule CCCn1ncc(C(=O)N[C@H](c2ccc(C)cc2)c2cccnc2)c1C more soluble in water? The output molecule should be similar to the input molecule.
CCCn1ncc(C(=O)N[C@@H](c2cccnc2)c2ccc(C)c(O)c2C)c1C
CCCn1ncc(C(=O)N[C@H](c2ccc(C)cc2)c2cccnc2)c1C
CCCn1ncc(C(=O)N[C@@H](c2cccnc2)c2ccc(C)c(O)c2C)c1C
101
{ "fragment_index": 0, "new_substring": "c1&ccc(C)c(O)c1C", "old_substring": "c17ccc(C)cc1" }
Can you make molecule O=C([O-])COCCNC(=O)[C@@H]1CCCCO1 more soluble in water? The output molecule should be similar to the input molecule.
O=C([O-])COCCNC(=O)CS(=O)(=O)[C@@H]1CCCCO1
O=C([O-])COCCNC(=O)[C@@H]1CCCCO1
O=C([O-])COCCNC(=O)CS(=O)(=O)[C@@H]1CCCCO1
101
{ "fragment_index": 0, "new_substring": "C&(=O)CS&(=O)=O", "old_substring": "C26=O" }
Can you make molecule Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccn3)ncn2)s1 more soluble in water? The output molecule should be similar to the input molecule.
Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccn3)nc(N)n2)s1
Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccn3)ncn2)s1
Cc1nc(C)c(C(=O)NCCNc2cc(-n3cccn3)nc(N)n2)s1
101
{ "fragment_index": 0, "new_substring": "c1&cc&nc(N)n1", "old_substring": "c17cc9ncn1" }
Can you make molecule CC[C@@H](C)NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O more soluble in water? The output molecule should be similar to the input molecule.
CC[C@@H](C)NC(=O)NNC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O
CC[C@@H](C)NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O
CC[C@@H](C)NC(=O)NNC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O
101
{ "fragment_index": 0, "new_substring": "C&(=O)NNC&=O", "old_substring": "C36=O" }
Can you make molecule Cc1cscc1C[NH2+][C@H]1CCC[C@@H](C)C1 less soluble in water? The output molecule should be similar to the input molecule.
Cc1cscc1C1=C2CCN2CC([NH2+][C@H]2CCC[C@@H](C)C2)=CC=C1
Cc1cscc1C[NH2+][C@H]1CCC[C@@H](C)C1
Cc1cscc1C1=C2CCN2CC([NH2+][C@H]2CCC[C@@H](C)C2)=CC=C1
102
{ "fragment_index": 0, "new_substring": "N1&CCc2c&cccc2C1", "old_substring": "C24" }
Can you make molecule Cn1ncnc1CNC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 more soluble in water? The output molecule should be similar to the input molecule.
Cn1ncnc1CNC(=O)NNC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2
Cn1ncnc1CNC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2
Cn1ncnc1CNC(=O)NNC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2
101
{ "fragment_index": 0, "new_substring": "C&(=O)NNC&=O", "old_substring": "C34=O" }
Can you make molecule NC(=O)c1cc(OC2CCN(Cc3nccn3C(F)F)CC2)ccn1 less soluble in water? The output molecule should be similar to the input molecule.
N#CC1(Oc2ccnc(C(N)=O)c2)CCC(Cc2nccn2C(F)F)CC1
NC(=O)c1cc(OC2CCN(Cc3nccn3C(F)F)CC2)ccn1
N#CC1(Oc2ccnc(C(N)=O)c2)CCC(Cc2nccn2C(F)F)CC1
102
{ "fragment_index": 0, "new_substring": "C1&(C#N)CCC&CC1", "old_substring": "C14CCN6CC1" }
Can you make molecule CCCCC(=O)N1CCN(c2nc3cccnc3s2)CC1 more soluble in water? The output molecule should be similar to the input molecule.
CCCCC(=O)N1CC[NH+](c2nc3cccnc3s2)C[C@H]1C
CCCCC(=O)N1CCN(c2nc3cccnc3s2)CC1
CCCCC(=O)N1CC[NH+](c2nc3cccnc3s2)C[C@H]1C
101
{ "fragment_index": 0, "new_substring": "N1&CC[NH+]&C[C@H]1C", "old_substring": "N14CCN5CC1" }
Can you make molecule CC[C@H](C)NC(=O)C(=O)Nc1c(C(N)=O)oc2ccccc12 more soluble in water? The output molecule should be similar to the input molecule.
CC[C@H](C)NC(=O)C(=O)Nc1c(ONC(N)=O)oc2ccccc12
CC[C@H](C)NC(=O)C(=O)Nc1c(C(N)=O)oc2ccccc12
CC[C@H](C)NC(=O)C(=O)Nc1c(ONC(N)=O)oc2ccccc12
101
{ "fragment_index": 0, "new_substring": "NC(=O)NO&", "old_substring": "C7(N)=O" }
Can you make molecule CCc1nn(CC)c(C[C@@]2(C3CC3)CCC[NH2+]2)c1Br more soluble in water? The output molecule should be similar to the input molecule.
CCn1nc(ON(C)C)c(Br)c1C[C@@]1(C2CC2)CCC[NH2+]1
CCc1nn(CC)c(C[C@@]2(C3CC3)CCC[NH2+]2)c1Br
CCn1nc(ON(C)C)c(Br)c1C[C@@]1(C2CC2)CCC[NH2+]1
101
{ "fragment_index": 0, "new_substring": "CN(C)O&", "old_substring": "CC6" }
Can you make molecule Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1N more soluble in water? The output molecule should be similar to the input molecule.
Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)S[C@]1(O)CC[NH+](c2cccs2)C1
Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1N
Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)S[C@]1(O)CC[NH+](c2cccs2)C1
101
{ "fragment_index": 0, "new_substring": "O[C@@]1&CC[NH+]&C1", "old_substring": "c17nnc8n1N" }
Can you make molecule N#Cc1ccc(C=C2S[C@@H]3c4ccccc4C(=O)N3Cc3ccccc3C2=O)cc1 more soluble in water? The output molecule should be similar to the input molecule.
N#CC(=C1S[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2C1=O)c1ccccn1
N#Cc1ccc(C=C2S[C@@H]3c4ccccc4C(=O)N3Cc3ccccc3C2=O)cc1
N#CC(=C1S[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2C1=O)c1ccccn1
101
{ "fragment_index": 0, "new_substring": "N#CC=&c1ccccn1", "old_substring": "N#Cc1ccc(C=5)cc1" }
Can you make molecule Cc1sc(Br)cc1S(=O)(=O)NCC(C1CC1)C1CC1 more soluble in water? The output molecule should be similar to the input molecule.
Cc1sc(Br)cc1S(=O)(=O)NCC(C1CC1)C1OCCCO1
Cc1sc(Br)cc1S(=O)(=O)NCC(C1CC1)C1CC1
Cc1sc(Br)cc1S(=O)(=O)NCC(C1CC1)C1OCCCO1
101
{ "fragment_index": 0, "new_substring": "C1&OCCCO1", "old_substring": "C15CC1" }
Can you make molecule Cc1cn2c(CN(C)C(=O)[C@H]3Oc4ccccc4[C@H]3C)c(C)nc2s1 more soluble in water? The output molecule should be similar to the input molecule.
Cc1cn2c(CN(C)N3CCN([C@H]4Oc5ccccc5[C@H]4C)C(=O)C3)c(C)nc2s1
Cc1cn2c(CN(C)C(=O)[C@H]3Oc4ccccc4[C@H]3C)c(C)nc2s1
Cc1cn2c(CN(C)N3CCN([C@H]4Oc5ccccc5[C@H]4C)C(=O)C3)c(C)nc2s1
101
{ "fragment_index": 0, "new_substring": "N1&CCN&C(=O)C1", "old_substring": "C57=O" }
Can you make molecule COCc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1 less soluble in water? The output molecule should be similar to the input molecule.
COCc1ccc(C(=O)Nc2cccc(NC(=O)CC(C)C)c2)cc1
COCc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1
COCc1ccc(C(=O)Nc2cccc(NC(=O)CC(C)C)c2)cc1
102
{ "fragment_index": 0, "new_substring": "CC(C)CC&=O", "old_substring": "C4(C)=O" }
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