MCULE-7276289307 |
0.78 |
C1=C2C(=C3C(=N2)C=CC=C3)C=CN1C
|
|
MCULE-7074644775 |
0.78 |
N1(C)C2=C(C=CC=C2)C2C=CN=CC1=2
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MolPort-039-099-631 |
0.78 |
CN1C2=C(C=CC=C2)C2=C1C=NC=C2
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MolPort-001-815-824 |
0.76 |
[I-].C[N+]1=CC2=C(C=C1)C1=C(N2)C=CC=C1
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|
MCULE-9486926017 |
0.76 |
[I-].N1C2C=CC=CC=2C2C=C[N+](C)=CC1=2
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|
MCULE-6271192982 |
0.76 |
[H]Cl.N1(C)C2=C(C=CC=C2)C2C=CN=CC1=2
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|
MCULE-6493117256 |
0.72 |
N1C2=CC=C(C=C2C2C=CN=C(O)C1=2)O
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MCULE-9698382870 |
0.71 |
C12C3C=CN=CC=3NC1=CC=C(O)C=2
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MCULE-9365938161 |
0.71 |
[N+]1(C)=CC=CC2C=CC=C([O-])C1=2
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MolPort-009-766-705 |
0.71 |
O.C[N+]1=CC=CC2=CC=CC([O-])=C12
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MolPort-002-558-254 |
0.71 |
C[N+]1=CC=CC2=CC=CC([O-])=C12
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MolPort-003-701-173 |
0.70 |
C[N+]1=CC(O)=CC2=CC=CC=C12
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MolPort-046-203-210 |
0.70 |
Cl.OC1=CNC2=CC=CN=C12
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MCULE-2873553797 |
0.70 |
[N+]1(C)=CC(O)=CC2C=CC=CC1=2
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MCULE-3750427205 |
0.70 |
C[N+]1C2C=CC=C(OC)C=2N=C2C=1C=CC=C2
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MCULE-7081854637 |
0.69 |
C12N(C)C=CC=C1N=C1C=CC=NC=21
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MCULE-8483676522 |
0.69 |
[N+]1(C)C=CC=C2C=1C=CN2
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MCULE-8812210056 |
0.69 |
N1(C)C2=CC=CN=C2C=C1
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MCULE-9730390280 |
0.69 |
C12C3C=CC=CC=3C3=C(C=CC=C3)C1=NC1C=CC=C(O)C=1N=2
|
|
MCULE-2606198905 |
0.69 |
CN1C2C=NC=CC=2C=C1
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MolPort-002-245-163 |
0.69 |
OC1=CC=CC2=NC3=C(N=C12)C1=C(C=CC=C1)C1=C3C=CC=C1
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MolPort-002-474-515 |
0.69 |
[I-].C[N+]1=CC(O)=CC2=CC=CC=C12
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MolPort-004-757-222 |
0.69 |
CN1C=CC2=NC=CC=C12
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MolPort-003-801-723 |
0.68 |
OC1=CC=NC2=CC=CN=C12
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MCULE-2224952437 |
0.68 |
OC1=C2C(C=CC=N2)=NC=C1
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MCULE-9290665308 |
0.68 |
C1C2N=CC=C(O)C=2NC=1
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MCULE-3875992242 |
0.68 |
[N+]1(C)C=CC=C2C=1C=CN2.[I-]
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MCULE-3274345525 |
0.68 |
OC1=C2C(C=CC=N2)=CC=N1
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MCULE-2633142790 |
0.68 |
N1C2C(=NC=CC=2)C=C(O)C=1
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MCULE-7031293075 |
0.68 |
C12C=CNC1=CC(O)=CN=2
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MolPort-035-944-483 |
0.68 |
[I-].C[N+]1=C2C=CNC2=CC=C1
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MolPort-020-014-399 |
0.68 |
OC1=NC=CC2=CC=CN=C12
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MolPort-015-157-188 |
0.68 |
OC1=CC2=NC=CC=C2N=C1
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MolPort-005-957-085 |
0.68 |
OC1=CN=C2C=CNC2=C1
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MolPort-023-333-339 |
0.67 |
OC1=CC=NC2=C(O)C=CN=C12
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MolPort-001-781-615 |
0.67 |
OC1=C2N=C3C=CC=CC3=NC2=CC=C1
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MolPort-002-137-039 |
0.67 |
CN1C2=C(C=CC=C2)C2=C1C1=C(N2)C=CC=C1
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|
MCULE-4960668544 |
0.67 |
C1(O)C2C(=NC3C(N=2)=CC=CC=3O)C=CC=1
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|
MCULE-6261538876 |
0.67 |
C12C3=CC=CC=C3NC=1C1=C(C=CC=C1)N2C
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MCULE-2845896541 |
0.67 |
OC1C2C(=NC3C=CC=CC=3N=2)C=CC=1
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MCULE-5309403740 |
0.67 |
OC1C2C(=C(C=CN=2)O)N=CC=1
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MCULE-6365114138 |
0.66 |
N1(C)C2C=CC=CC=2N(C)C2C3C=CC=CC=3C3C=CC=CC=3C1=2
|
|
MCULE-7574317397 |
0.66 |
N1C2=CC=C(C=C2C2C=CN=C(O)C1=2)OC
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MCULE-6111830811 |
0.66 |
C1C=C2C3C(=CC=C(Cl)C=3)NC2=C[N+]=1C
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MolPort-035-881-864 |
0.65 |
C[N+]1=C2C=CC=CC2=NC2=CC=CC=C12
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MCULE-8914358370 |
0.65 |
[N+]1(C)C2C=CC=CC=2N=C2C=CC=CC=12
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MCULE-3766267746 |
0.65 |
C12C(OC)=CN=CC=1NC1C=CC=CC2=1
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MCULE-5486835015 |
0.65 |
C12C3C=CN=CC=3NC=1C=C(OC)C=C2
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|
MCULE-4653697209 |
0.65 |
C12C3C=CC=CC=3N(CC)C=1C=CC1=C2N=C2C(=N1)C1C3C=CC=CC=3N(CC)C=1C=C2
|
|
MCULE-3187951367 |
0.65 |
C12C(C=CC=C1)=NC1=CC=CC=C1[N+]=2CC
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|
MCULE-4455849339 |
0.65 |
C1=CC2C(=CC3=NC=C[N+](CC)=C3C=2)C=C1
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|
MCULE-4822179084 |
0.65 |
C1C=C2C3C(=CC=C(Cl)C=3)NC2=C[N+]=1C.[I-]
|
|
MCULE-9364583785 |
0.65 |
C12C3C=CN=CC=3NC=1C=CC(OC)=C2
|
|
MolPort-002-801-778 |
0.65 |
CCN1C2=C(C=CC=C2)C2=C1C=CC1=NC3=C(C=CC4=C3C3=C(C=CC=C3)N4CC)N=C21
|
|
MolPort-044-559-484 |
0.65 |
CC(C)N1C=CC2=CC=NC=C12
|
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MolPort-003-983-847 |
0.65 |
[I-].C[N+]1=CC2=C(C=C1)C1=C(N2)C=CC(Cl)=C1
|
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MolPort-028-748-603 |
0.64 |
CN1C2=CC=CC=C2N(C)C2=CC=CC=C12
|
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MolPort-030-082-253 |
0.64 |
C[N+]1=C2C=CC(O)=CC2=CC=C1
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MolPort-023-331-022 |
0.64 |
CN1C=CC2=CC(O)=CC=C12
|
|
MCULE-3191400563 |
0.64 |
N1(C)C2C=CC=CC=2N(C)C2=CC=CC=C12
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|
MCULE-8170364886 |
0.64 |
[N+]1(C)C=CC=C2C=C(O)C=CC=12
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|
MCULE-8629386690 |
0.64 |
CN1C2C=CC(=CC=2C=C1)O
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MCULE-5212529987 |
0.64 |
N1C2C(=NC=CC=2O)C(N)=C1
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|
MCULE-3375359808 |
0.64 |
C12=C(C=CC=C1N=CC=N2)O
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|
MCULE-5051059370 |
0.64 |
N1C2C(=NC=C(O)C=2)C(N)=C1
|
|
MCULE-9299327424 |
0.64 |
[N+]1(C)=CC=NC2C=CC=CC1=2
|
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MolPort-000-353-547 |
0.64 |
OC1=CC=CC2=NC=CN=C12
|
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MolPort-000-490-032 |
0.64 |
C[N+]1=CC=NC2=CC=CC=C12
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MolPort-000-000-986 |
0.63 |
NC1=CC=C(O)C2=NC=CC=C12
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MolPort-003-800-904 |
0.63 |
CC[N+]1=CC=NC2=CC=CC=C12
|
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MolPort-002-130-019 |
0.63 |
[I-].C[N+]1=C2C=CC(O)=CC2=CC=C1
|
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MCULE-9120869371 |
0.63 |
[N+]1(CC)C=CC2C(O)=CC=CC=2C=1
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MCULE-6291447142 |
0.63 |
C12C=CC=NC=1C(=CC=C2N)O
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MCULE-5533710969 |
0.63 |
C1(O)C(N)=CC=C2C=CC=NC=12
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MCULE-6772359874 |
0.63 |
[N+]1(C)C=CC=C2C=C(O)C=CC=12.[I-]
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MCULE-3163855510 |
0.63 |
C12C(=CC=CC=1C=CN2)O
|
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MCULE-7390809984 |
0.63 |
C1=NC=C(O)C2C=CNC1=2
|
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MolPort-000-139-930 |
0.63 |
OC1=C2NC=CC2=CC=C1
|
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MolPort-004-756-147 |
0.62 |
CN1C=CC2=CC(O)=CN=C12
|
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MolPort-038-934-383 |
0.62 |
NC1=CC=C2C=C(O)C=NC2=C1
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MolPort-022-367-252 |
0.62 |
CN1C=CC2=CC=C(O)C=C12
|
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MolPort-000-832-900 |
0.62 |
Cl.Cl.NC1=CC=C(O)C2=NC=CC=C12
|
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MolPort-000-000-983 |
0.62 |
Cl.NC1=CC=C(O)C2=NC=CC=C12
|
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MolPort-002-578-317 |
0.62 |
C[N+]1=C2C=C(O)C=CC2=CC=C1
|
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MCULE-4480945580 |
0.62 |
[I-].[N+]1(C)=CC=NC2C=CC=CC1=2
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MCULE-9544696920 |
0.62 |
OC1=CN=C2C(=C1)C=CN2C
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MCULE-8256885056 |
0.62 |
C12C=CC=NC=1C(O)=CC=C2N.Cl
|
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MCULE-8504170295 |
0.62 |
[N+]1(CC)C=CC2C(O)=CC=CC=2C=1.[Br-]
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MCULE-7882060063 |
0.62 |
CN1C2=C(C=CC(=C2)O)C=C1
|
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MCULE-6557944103 |
0.62 |
C12C=CC=NC=1C(=CC=C2N)O.Cl.Cl
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MCULE-1983012405 |
0.62 |
N1C2C(=CC=C(N)C=2)C=C(O)C=1
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|
MCULE-7586828248 |
0.62 |
N1C2C(=CC=CC=2)C(N)=C(O)C=1
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|
MCULE-3836971083 |
0.62 |
N1C2=C(C)N(C)C=CC2=C2C=CC(OC)=CC=12
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|
MCULE-6041199357 |
0.62 |
C12C3N(C4C=CC=CC=4C=3C=CC=1C1C=CC=CC=1N2)C1C=CC=CC=1
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|
MCULE-4355327299 |
0.62 |
[N+]1(CCO)=C2C=CC=CC2=NC2=C3C=CC=CC3=CC=C21
|
|
MCULE-8768820262 |
0.62 |
C12C3C=CC=CC=3N(C)C=1C=C1C=C(C=CC1=N2)N(=O)=O
|
|
MCULE-6938731998 |
0.62 |
C[N+]1C2C=CC=C(OC)C=2N=C2C=1C=CC=C2.O=S(=O)([O-])OC
|
|
MCULE-6530553729 |
0.62 |
[N+]1(=CC=CC2C=CC=C(O)C1=2)CC(C)=O
|
|
MolPort-035-686-873 |
0.62 |
N1C2=C(C=CC=C2)C2=C1C1=C(C=C2)C2=C(C=CC=C2)N1C1=CC=CC=C1
|
|
MolPort-002-344-909 |
0.62 |
CN1C(O)=CC2=CC=CC=C12
|
|
MolPort-006-133-687 |
0.62 |
COS([O-])(=O)=O.COC1=C2N=C3C=CC=CC3=[N+](C)C2=CC=C1
|
|
MolPort-006-395-486 |
0.61 |
[2H]C1=C([2H])C2=C(NC3=C2C([2H])=C([2H])C([2H])=C3[2H])C([2H])=N1
|
|
MolPort-000-139-947 |
0.61 |
OC1=C2N=CC=CC2=CC=C1
|
|
MolPort-000-141-389 |
0.61 |
N1C2=C(C=CC=C2)C2=C1C=NC=C2
|
|
MolPort-003-936-286 |
0.61 |
OC1=C2N=C3C=CC=CC3=CC2=CC=C1
|
|
MolPort-000-833-421 |
0.61 |
[I-].C[N+]1=C2C=C(O)C=CC2=CC=C1
|
|
MolPort-023-277-976 |
0.61 |
CN1C=CC2=C(O)C=CC=C12
|
|
MolPort-038-934-385 |
0.61 |
NC1=C2C=C(O)C=NC2=CC=C1
|
|
MCULE-7379210172 |
0.61 |
N1C2C=CC=CC=2C2=CC=NC=C12
|
|
MCULE-7753869266 |
0.61 |
C12C(C=CC=N1)=CC=CC=2O
|
|
MCULE-8957511426 |
0.61 |
C1C=CC2C(C=1)=C1C=CC=C(O)C1=NC=2
|
|
MCULE-4551745841 |
0.61 |
C1C=CC2C(C=1)=CC1=CC=CC(O)=C1N=2
|
|
MCULE-3470186863 |
0.61 |
N1(C)C2=C(C(O)=CC=C2)C=C1
|
|
MCULE-5554487994 |
0.61 |
N1(C)C2=C(C=CC=C2)C2=C1C=CC=C2O
|
|
MCULE-9164731868 |
0.61 |
[I-].[N+]1(C)C=CC=C2C=CC(O)=CC=12
|
|
MCULE-3732352792 |
0.61 |
[N+]12=CC=CC3C=CC4C=CC=[N+](C=4C1=3)CC2
|
|
MCULE-3797139154 |
0.61 |
N1(C(C)=O)C2C=CC=CC=2C2N=C3C=CC=CC3=CC=21
|
|
MCULE-7236268521 |
0.61 |
COC1C2NC=CC=2N=CC=1
|
|
MCULE-2283890199 |
0.61 |
[N+]1(CC)=C2C=CC=CC2=NC2C=CC(N)=CC1=2
|
|
MCULE-6933551515 |
0.61 |
C1=CC2C(=CC3=NC=C[N+](CC)=C3C=2)C=C1.F[B-](F)(F)F
|
|
MCULE-7188935420 |
0.61 |
[N+]1(=CC=CC2C=CC=C(O)C1=2)CC(C)=O.[Br-]
|
|
MCULE-9089077484 |
0.61 |
S(OC)(=O)(=O)[O-].[N+]1(C)=CC(O)=CC2C=CC=CC1=2
|
|
MolPort-020-168-790 |
0.61 |
OC1=C2C(C=CC=[N+]2CC=C)=CC=C1
|
|
MolPort-004-756-445 |
0.61 |
COC1=C2NC=CC2=NC=C1
|
|
MolPort-002-511-411 |
0.61 |
CC(=O)N1C2=C(C=CC=C2)C2=C1C=C1C=CC=CC1=N2
|
|
MolPort-001-786-500 |
0.61 |
CC(=O)N1C=C(O)C2=CC=CC=C12
|
|
MolPort-002-111-355 |
0.61 |
COS([O-])(=O)=O.C[N+]1=CC(O)=CC2=CC=CC=C12
|
|
MolPort-002-130-028 |
0.61 |
[Br-].CC(=O)C[N+]1=CC=CC2=CC=CC(O)=C12
|
|
MolPort-001-989-541 |
0.60 |
OC(CN1C2=C(C=CC=C2)C2=C1C=CC=C2)C[N+]1=CC=CC2=CC=CC(O)=C12
|
|
MolPort-001-770-021 |
0.60 |
[Cu++].[O-]C1=C2N=CC=CC2=CC=C1.[O-]C1=C2N=CC=CC2=CC=C1
|
|
MolPort-006-113-958 |
0.60 |
[Al+3].[O-]C1=C2N=CC=CC2=CC=C1.[O-]C1=C2N=CC=CC2=CC=C1.[O-]C1=C2N=CC=CC2=CC=C1
|
|
MolPort-006-149-089 |
0.60 |
[Li+].[O-]C1=C2N=CC=CC2=CC=C1
|
|
MCULE-3800584503 |
0.60 |
[N+]1(CCO)=C2C=CC=CC2=NC2C=CC=CC1=2
|
|
MCULE-9382272060 |
0.60 |
N1(CC(O)C[N+]2=CC=CC3C=CC=C(O)C2=3)C2=CC=CC=C2C2=CC=CC=C12
|
|
MCULE-6843339422 |
0.60 |
C12C=CN(C)C1=CC=C(N)N=2
|
|
MCULE-6092047635 |
0.60 |
[Li+].[O-]C1=CC=CC2C=CC=NC=21
|
|
MCULE-8993881611 |
0.60 |
[Br-].[Br-].[N+]12=CC=CC3C=CC4C=CC=[N+](C=4C1=3)CC2
|
|
MCULE-5748858495 |
0.60 |
N1C2C=NC=CC=2C2C=CC=CC1=2.Cl
|
|
MCULE-1669894472 |
0.60 |
N1(C2C=CC=CC=2C2C=CC3C4C=CC=CC=4N(C4C=CC=CC=4)C=3C1=2)C1C=CC=CC=1
|
|
MCULE-6711768750 |
0.60 |
C12C3C=C[N+](=CC=3N(CCCC#N)C1=CC=C(OCCCC#N)C=2)CCCC#N
|
|
MCULE-8349307942 |
0.60 |
CC(=O)N1C2C(=CC(=CN=2)O)C=C1
|
|
MCULE-1326217212 |
0.60 |
C12C=CNC1=CC(OC)=CN=2
|
|
MCULE-6400753449 |
0.60 |
C(N1C2=C(C=CN=C2)C=C1)C1=CC=CC=C1
|
|
MCULE-7640618484 |
0.60 |
OC1C=CC=C2N=C3C(OC)=CC=CC3=NC=12
|
|
MCULE-1908803376 |
0.60 |
COC1C2C(=NC3C=CC=CC=3N=2)C=CC=1
|
|
MCULE-5210793763 |
0.60 |
[I-].[N+]1(CC)=C2C=CC=CC2=NC2C=CC(N)=CC1=2
|
|