inchikey
stringlengths 27
27
| smiles
stringlengths 13
254
| PPARD
float64 -14.7
-3.7
⌀ | ABL1
float64 -14.2
-4.4
⌀ | ADAM17
float64 -13.3
-4.2
⌀ | ADRB1
float64 -15.6
10.2
⌀ | ADRB2
float64 -15.5
15.5
⌀ | AKT2
float64 -13.8
-4
⌀ | MAOB
float64 -13.1
107
⌀ | CASP3
float64 -12.7
-3.7
⌀ | DHFR
float64 -13.7
-4
⌀ | ESR2
float64 -12.3
-3.9
⌀ | PTK2
float64 -13.3
-3.8
⌀ | FGFR1
float64 -12.8
-3.7
⌀ | HMGCR
float64 -12.1
-3.9
⌀ | HSP90AA1
float64 -15.9
-3.8
⌀ | KIT
float64 -12.9
-3.5
⌀ | MAPKAPK2
float64 -13.1
-3.7
⌀ | MAP2K1
float64 -14
-2.6
⌀ | NOS1
float64 -13.3
24.5
⌀ | PARP1
float64 -15.3
-4.3
⌀ | PDE5A
float64 -15.2
-3.7
⌀ | PGR
float64 -13
34.4
⌀ | PTPN1
float64 -12.5
-3.4
⌀ | ROCK1
float64 -13.4
-3.6
⌀ | AKT1
float64 -15.6
11.5
⌀ | AR
float64 -11.6
48
⌀ | CDK2
float64 -12.9
-3.6
⌀ | CSF1R
float64 -13.3
-4.1
⌀ | ESR1
float64 -12.9
-4.2
⌀ | NR3C1
float64 -13.3
48.5
⌀ | IGF1R
float64 -12.2
-4.1
⌀ | JAK2
float64 -13.7
-4
⌀ | LCK
float64 -13.6
-3.8
⌀ | MET
float64 -13.4
-4.2
⌀ | MMP13
float64 -14.1
-4.3
⌀ | PTGS2
float64 -13.9
14.5
⌀ | PPARA
float64 -14
-3.8
⌀ | PPARG
float64 -13.4
-4.1
⌀ | REN
float64 -16.3
-3.5
⌀ | ADORA2A
float64 -15
-4
⌀ | ACHE
float64 -15.5
2.1
⌀ | BACE1
float64 -11.6
-3.5
⌀ | CA2
float64 -12.2
-3.9
⌀ | CYP2C9
float64 -15.5
31.8
⌀ | CYP3A4
float64 -15.6
19.8
⌀ | HSD11B1
float64 -13.2
-4.1
⌀ | DPP4
float64 -14.1
-4.2
⌀ | DRD2
float64 -15.4
2.2
⌀ | DRD3
float64 -14
12
⌀ | EGFR
float64 -14.7
-4
⌀ | F10
float64 -12.9
-4
⌀ | GBA
float64 -14
29.2
⌀ | MAPK1
float64 -13
-4.1
⌀ | MAPK14
float64 -12.8
-4
⌀ | PLK1
float64 -14.4
-3.7
⌀ | SRC
float64 -13.8
-3.9
⌀ | THRB
float64 -13.9
-2.9
⌀ | F2
float64 -12.2
-4.2
⌀ | KDR
float64 -14
-0.1
⌀ | qed
float64 0.01
0.95
|
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
CFOYQYBBEVSGIS-MOSHPQCFNA-N
|
S\1C2=C(N(C(=O)/C1=C/C=3C=C(C=CC3)C)C)C=C(C(=O)N4CCOCC4)C=C2
| -10.4 | -10.5 | -10.1 | -10.3 | -10 | -8.6 | -6.5 | -8.3 | -9.7 | -7.8 | -8.5 | -8.3 | -8.2 | -10.5 | -9.1 | -9.4 | -9.2 | -8.7 | -11.2 | -11.2 | -7.3 | -8.5 | -9.5 | -10.2 | -6.7 | -9.5 | -10.8 | -8.2 | -9.8 | -10.2 | -9.5 | -8.7 | -9.4 | -9.2 | -8.1 | -8.2 | -8.4 | -9.5 | -9.5 | -11.2 | -8.7 | -7.6 | -10.2 | -10.4 | -10.5 | -9.5 | -9.8 | -10 | -9.6 | -9.1 | -10.1 | -9.5 | -8.8 | -9.7 | -9.5 | -8.4 | -9.6 | -8.5 | 0.7309 |
DCFANXBOWHBWJM-UYBDAZJANA-N
|
S(=O)(=O)(N1CCCCC1)C=2C=CC(NC(=O)CN3CCCCCC3)=CC2
| -8.6 | -8.9 | -8.9 | -9.7 | -9.6 | -8.1 | -8.4 | -7.5 | -8.5 | -8.2 | -8.1 | -8.9 | -7.6 | -8.5 | -7.7 | -8.1 | -9.2 | -9.1 | -8.5 | -10 | -6.6 | -7.1 | -8.4 | -8.9 | -6.9 | -8.2 | -7.4 | -8.8 | -8.6 | -6.9 | -7.6 | -8 | -8.4 | -9.5 | -7.5 | -8.7 | -9.3 | -7.6 | -8.7 | -9.2 | -7.1 | -7.3 | -8.7 | -9.2 | -9.8 | -8.7 | -8.6 | -8.7 | -9.2 | -8.5 | -8.4 | -8.5 | -7.4 | -7.7 | -7.6 | -9.7 | -8.8 | -9.3 | 0.853907 |
VKXCRTBCUCAGPE-MRZGDXHCNA-N
|
O(C[C@@H](O)/C=C/CC(OC)OC)CC1=CC=CC=C1
| -7.3 | -6.9 | -7.1 | -7.4 | -6 | -6 | -7.4 | -5.1 | -6.5 | -6.6 | -5.7 | -7.2 | -6.1 | -7.7 | -6.6 | -5.8 | -5.6 | -6.7 | -6.6 | -7.6 | -6.2 | -6.1 | -6.2 | -6.5 | -6.1 | -5.9 | -6.7 | -6.3 | -6.6 | -6.7 | -6.5 | -5.8 | -6.8 | -7.1 | -6.8 | -6.4 | -6.8 | -5.9 | -6.8 | -7.9 | -5.1 | -6 | -6.1 | -6.6 | -6.9 | -6.5 | -7.1 | -6.7 | -6.9 | -6.7 | -7 | -6.7 | -6.2 | -6.7 | -5.8 | -7.7 | -6.1 | -7.1 | 0.549253 |
WETWYEIYZPFGIT-WYUMXYHSNA-N
|
S1C=2N(C(=O)C(C(=O)NCCCN3CCCC3=O)C(=O)N2)C(=C1)C
| -7.4 | -8.3 | -8.6 | -8.7 | -8.8 | -7.3 | -7.2 | -6.9 | -8.4 | -7.6 | -7.6 | -7.8 | -7.5 | -7.7 | -7.4 | -7.3 | -8.3 | -8.7 | -8.9 | -9.3 | -8.1 | -6.7 | -7.8 | -8.5 | -6.5 | -7.6 | -7 | -8.1 | -8.5 | -7.8 | -8.1 | -7.7 | -8 | -8.9 | -7.3 | -8.4 | -8.4 | -7.5 | -7.8 | -9.2 | -6.3 | -7.4 | -8.5 | -8.4 | -8.5 | -7.7 | -9.2 | -8.7 | -8.6 | -8.5 | -8.4 | -8.3 | -8.1 | -7.8 | -7.1 | -8.8 | -8 | -8.2 | 0.558482 |
LUEDFXFVYWVEMN-PSYADFINNA-N
|
O1[C@@H]([C@H](CN([C@@H](CO)C)C(=O)C2=C1C(N(C)C)=CC=C2)C)CN(C(=O)NC3CCCCC3)C
| -8.5 | -7.6 | -7.4 | -7.5 | -8.9 | -7.5 | -5.7 | -6.7 | -7.9 | -7.3 | -7.2 | -7.2 | -7.9 | -8.4 | -7.3 | -7.4 | -9 | -7.9 | -8.8 | -8.4 | -5.8 | -6.4 | -8.2 | -9.3 | -5.6 | -7.6 | -7.3 | -7.9 | -6.2 | -7.5 | -9.1 | -8.2 | -7.1 | -8.4 | -6.4 | -5.9 | -7.5 | -8.2 | -7.6 | -7.8 | -7.7 | -6.7 | -8.9 | -9.7 | -7.2 | -8.1 | -7.4 | -8.4 | -8.4 | -7.7 | -9.1 | -7.4 | -8.2 | -8.7 | -8.1 | -5.5 | -7.6 | -7.1 | 0.681858 |
DQKZOKFHFAVVHO-UHFFFAOYNA-N
|
O=N(=O)C=1C(N2CC=3C(CC2)=CC=CC3)=CC=C(C1)C#N
| -7.5 | -10.3 | -7.6 | -8.9 | -8.7 | -8.3 | -6.1 | -6.9 | -8.2 | -7.8 | -8.2 | -8.3 | -7.4 | -7.4 | -7.6 | -7.4 | -7.4 | -7.9 | -8.7 | -9.1 | -8.2 | -7 | -7.8 | -7.6 | -7.2 | -8.2 | -8.5 | -7.4 | -8.4 | -7.8 | -8.2 | -7.9 | -7.9 | -8.6 | -8.9 | -8.1 | -7.3 | -7.4 | -8.3 | -7.8 | -6.7 | -7.5 | -8.4 | -8.3 | -8.4 | -7.7 | -8.1 | -7.7 | -8.2 | -7.3 | -8.5 | -7.5 | -7.5 | -8.4 | -8 | -9.3 | -7.3 | -7.2 | 0.62549 |
TYWJFUBQVZBWDO-KPTQUPSFNA-N
|
S1C(/C=N/NC(=O)CNC(=O)C2=CC(OC)=C(OC)C(OC)=C2)=CC=C1
| -7.6 | -8 | -8.1 | -7.8 | -7.7 | -7.3 | -6.1 | -6.7 | -7.3 | -6.5 | -7 | -7.5 | -6.7 | -7.7 | -6.9 | -7.2 | -7.6 | -7.7 | -8.3 | -7.9 | -5.6 | -7.4 | -7.2 | -7.8 | -6.5 | -6.9 | -7.8 | -7 | -8 | -7.1 | -7.3 | -6.9 | -7.9 | -8.1 | -8 | -7.9 | -7.8 | -6.8 | -7.7 | -9 | -6.5 | -6.5 | -7.7 | -7.5 | -7.9 | -6.9 | -8.2 | -7.7 | -8.2 | -7.2 | -8 | -7.6 | -7.1 | -7.5 | -7.8 | -8.2 | -7.1 | -7.2 | 0.538466 |
BLAVWRJLOODICB-MPIMZMORNA-N
|
S(=O)(=O)(NCC(=O)N(CC1=CC=CC=C1)CC(=O)NCC=2OC=CC2)C3=CC=CC=C3
| -9 | -8.1 | -8.9 | -9.3 | -9.3 | -8.6 | -7.7 | -7.3 | -8.4 | -7.7 | -7.5 | -7.6 | -7 | -8.5 | -8.1 | -7.9 | -9.1 | -9 | -8.7 | -10 | -7.4 | -7.3 | -8.3 | -8.5 | -7.3 | -8.9 | -7.9 | -8.8 | -9.2 | -8.5 | -8.5 | -7.8 | -7.8 | -8.4 | -9 | -9 | -9 | -7.6 | -8.7 | -10.3 | -6.9 | -7.9 | -9.1 | -9.7 | -9.3 | -8.9 | -8.5 | -9 | -9.4 | -8.9 | -9.4 | -8.6 | -7.5 | -8.5 | -7.5 | -9.6 | -8.2 | -7.9 | 0.499581 |
GYCHBDTXVURJND-LILDFLRNNA-N
|
S(=O)(=O)(N1CCC(CC1)C(=O)NC=2OC(=NN2)C)C=3C=CC(=CC3)C(OCC)=O
| -9.1 | -9.1 | -9.3 | -9.4 | -9.9 | -8.4 | -6.4 | -8.6 | -9.4 | -7.3 | -8.5 | -8.1 | -8.2 | -8.4 | -8.3 | -8.9 | -8.7 | -8.1 | -9.7 | -10.2 | -7.2 | -9.2 | -8.5 | -9.4 | -6.6 | -9.2 | -9.1 | -7.9 | -8 | -8 | -8.1 | -7.9 | -9 | -9.7 | -7.5 | -8.5 | -8.4 | -8.4 | -9.3 | -10 | -7.7 | -9.1 | -10.2 | -9.2 | -9.8 | -8.9 | -9.7 | -8.5 | -8.7 | -8.3 | -9.5 | -8.5 | -8 | -9.3 | -9 | -8.6 | -9.1 | -9.1 | 0.694394 |
QGDOGIHWGNKHTG-NPVYFSBINA-N
|
S=C(NC1CCCC1)NC=2C=CC(OC3=CC=CC=C3)=CC2
| -8.7 | -9.1 | -8.3 | -9 | -9.6 | -7.8 | -9.2 | -6.4 | -7.8 | -7.4 | -7.5 | -8.7 | -6.7 | -8.2 | -7.6 | -7.6 | -8 | -8.7 | -7.9 | -8.7 | -8.3 | -7.4 | -7.9 | -7.4 | -8.4 | -8.1 | -7.8 | -7.6 | -8.4 | -7.2 | -7.7 | -6.8 | -8 | -9.1 | -7.6 | -7.5 | -7.7 | -7.1 | -8.3 | -8.9 | -6.4 | -7.2 | -8.1 | -8.6 | -8.3 | -8.1 | -8.6 | -8 | -9.3 | -8.3 | -8.5 | -8 | -7.9 | -8 | -7 | -9.7 | -7.7 | -9.3 | 0.801242 |
HDFLGWTZVHHZBR-HLLZZHJQNA-N
|
O=C(NC=1C=CC(=CC1)C(=O)N/N=C/C2=CC=C(N(C)C)C=C2)C3=CC=CC=C3
| -7.8 | -10 | -9.7 | -10.9 | -10.9 | -8.8 | -3.3 | -7.3 | -7.8 | -6.8 | -7.8 | -9.5 | -7.2 | -8.3 | -9.4 | -7.7 | -9.2 | -9 | -9.7 | -8.8 | -7.6 | -7.6 | -8.7 | -8.8 | -6.1 | -8.4 | -8.4 | -7.9 | -7.4 | -8.3 | -8.3 | -8.7 | -8.9 | -10.4 | -10.2 | -9.3 | -7.8 | -8.6 | -9.1 | -8.5 | -7.7 | -7.8 | -9.4 | -8 | -8 | -9 | -10.5 | -9.1 | -9.6 | -8.3 | -7.8 | -9.1 | -8 | -8.7 | -8.2 | -9.3 | -8.5 | -9.5 | 0.500277 |
GFZFAZDCVHIPOI-UHFFFAOYNA-N
|
O1C(CN(C2CCN(CC2)CC3=CC=C(C=C3)C)CC1C)C
| -8 | -8.9 | -8.7 | -9.3 | -9.5 | -8.1 | -8.7 | -7.3 | -9.2 | -7.6 | -7.8 | -9.1 | -7.2 | -8.5 | -8.6 | -7.6 | -8.7 | -7.7 | -8.9 | -9.8 | -8 | -7.7 | -8.8 | -8.2 | -6.9 | -8.5 | -8.7 | -7.9 | -9.4 | -8.2 | -8.2 | -8.4 | -8.7 | -9.4 | -8.5 | -8.5 | -8 | -7.8 | -8.4 | -9.9 | -7 | -7.8 | -8.8 | -9.1 | -9.2 | -7.9 | -8.7 | -8.7 | -9.1 | -8.2 | -8.8 | -8.1 | -8.1 | -8.7 | -7.8 | -9.5 | -7.7 | -9.4 | 0.853258 |
FDRJBILOGUCDCY-PKSOQXRJNA-N
|
O(C1=C2N=CC(=C(NCC3=CC=CN=C3)C2=CC=C1)C(OCC)=O)C
| -7.8 | -7.4 | -7.5 | -8.7 | -7.8 | -7.7 | -5.1 | -6.6 | -8.4 | -8.1 | -7.8 | -6.6 | -6.9 | -8.7 | -6.8 | -7.1 | -8 | -7.7 | -8.4 | -9.2 | -7.7 | -7.5 | -7.3 | -8.1 | -6.9 | -8.1 | -8.8 | -7.9 | -8 | -7.7 | -7.6 | -7.7 | -7.2 | -7.7 | -9.3 | -7.7 | -7.2 | -7.5 | -8.6 | -10.1 | -6.2 | -7 | -8.3 | -8.4 | -8.4 | -7.7 | -8.1 | -7.5 | -8.3 | -7.6 | -8 | -8.3 | -7.1 | -8.5 | -7.8 | -8.8 | -7.7 | -5.9 | 0.694833 |
XXNNTLDTJMGOEV-UHFFFAOYNA-N
|
BrC=1C=C(C2N3C4=C(N=C3N=C(C2)C5=CC(Cl)=C(OCC)C=C5)C=CC=C4)C=CC1
| -8.8 | -8.4 | -9.1 | -10.7 | -10.5 | -9 | -5.4 | -8.7 | -10.1 | -8.5 | -9.2 | -8.3 | -8.9 | -9.5 | -8.3 | -8.7 | -9.7 | -8.9 | -10.5 | -12.6 | -7.7 | -8.2 | -9.1 | -10 | -7.1 | -10 | -9.5 | -9.1 | -8.6 | -9 | -9.3 | -8.9 | -8.2 | -8.6 | -7.7 | -8.7 | -8.8 | -9.6 | -9.4 | -9.7 | -8 | -8.3 | -11.6 | -10.4 | -9.2 | -9.1 | -9.7 | -9 | -9.6 | -8.9 | -10.8 | -9.7 | -8.7 | -10.4 | -9.1 | -7.3 | -9 | -7.7 | 0.316437 |
YLEWUBZOZYDNFA-LQFNOIFHNA-N
|
ClC=1C=CC(C2=NOC=3N=CN=C(NC4=C(COCC)C=CC=C4)C23)=CC1
| -8.8 | -7.6 | -7.3 | -9.7 | -8.3 | -7.2 | -6.2 | -7.2 | -9.5 | -8.2 | -9.8 | -7.2 | -8 | -9.4 | -6.8 | -8.1 | -8.6 | -8 | -9.4 | -10 | -6.7 | -7.3 | -7.7 | -9.4 | -6 | -7.9 | -8.4 | -7.7 | -8 | -8.4 | -9 | -8.2 | -7.6 | -8.2 | -10.6 | -8.8 | -8 | -8.8 | -10.4 | -10.9 | -6.7 | -7 | -9.8 | -9.4 | -8 | -8.1 | -8.4 | -8.5 | -9 | -7.8 | -8.8 | -9 | -8 | -9.9 | -8.5 | -6.4 | -8.2 | -7 | 0.494119 |
WVDOWSGQYWAPTG-UHFFFAOYNA-N
|
O=C(N(CC1CN(CCC1)CCC2=CC(OC)=CC=C2)CC)C=C(C)C
| -9 | -9.2 | -8.5 | -9.4 | -9.1 | -7.4 | -8.1 | -7 | -8.5 | -6.8 | -7.7 | -8.5 | -6.8 | -8.8 | -7.2 | -7.3 | -8.3 | -7.5 | -8.6 | -9.4 | -8.5 | -6.6 | -7.8 | -8.5 | -5.9 | -7.7 | -8.1 | -8.2 | -8.6 | -7.5 | -7.5 | -7.5 | -8.2 | -8.3 | -7.7 | -8.4 | -8.1 | -7.5 | -8.4 | -9.4 | -6.7 | -7.3 | -8.9 | -8.8 | -9.1 | -8.2 | -8.6 | -9 | -8.5 | -8 | -8.1 | -7.9 | -7.7 | -8.5 | -7.4 | -9.8 | -7.9 | -9.1 | 0.663401 |
YJOHLCCYNVHKKI-BVDKFJNYNA-N
|
O[C@@H]1CC=2[C@@](C3C(C4[C@](CC3)([C@@H](NC(=O)C(C)C)CC4)C)CC2)(CC1)C
| -7.9 | -12.6 | -8.6 | -8.5 | -9.1 | -8.4 | -5.4 | -8 | -8.8 | -7 | -8.8 | -9.3 | -7.8 | -8.1 | -6.4 | -8.9 | -9 | -7.6 | -9.4 | -11.2 | -7 | -6.5 | -9.1 | -8.4 | -6.3 | -8.7 | -9.8 | -7 | -10.1 | -8.3 | -7.1 | -9.9 | -9 | -7.7 | -7.5 | -9 | -7.5 | -8.6 | -9.5 | -8.1 | -7.3 | -7.7 | -8.8 | -9.8 | -10.7 | -8.2 | -9.1 | -8.9 | -9.4 | -6.9 | -10.2 | -7.1 | -9.8 | -9.2 | -9.4 | -9.5 | -8.1 | -8.9 | 0.71568 |
OLPVMLONNQTHBC-LELJVTLKNA-N
|
ClC=1C=C(NC(=O)C(N2CCN(CC2)C=3N=CC=CC3)C4=CC=CC=C4)C=CC1OC
| -9.5 | -7.9 | -9 | -10.3 | -10.4 | -8.8 | -6 | -7.7 | -10 | -6.9 | -8.4 | -7.9 | -8 | -9.8 | -7.8 | -7.6 | -9.3 | -8.8 | -9.7 | -9.9 | -5.7 | -7.7 | -9 | -9.7 | -6.1 | -9.3 | -8.4 | -8.6 | -8.7 | -7.8 | -9 | -8.9 | -7.9 | -8.2 | -7.4 | -9.5 | -8.9 | -9 | -9.1 | -9.7 | -7.5 | -7.8 | -9.9 | -10.4 | -9.7 | -9.1 | -9.5 | -8.2 | -9.4 | -8.6 | -10 | -8.4 | -8.6 | -9.4 | -9 | -8.9 | -8.8 | -7.1 | 0.625754 |
UZOHJIIAGGAUBX-UHFFFAOYNA-N
|
N1(C(=C(C=C1C)C=2N=C3N(C2)C=CC=C3)C)C4=CC=CC=C4
| -8 | -10 | -8.2 | -8.9 | -8.5 | -8.6 | -9.6 | -7.1 | -8.4 | -7.7 | -7.9 | -7.4 | -6.8 | -8.7 | -8.4 | -8.2 | -8.2 | -8.3 | -8.9 | -9.6 | -7.8 | -7.3 | -8.4 | -8.3 | -7.1 | -8.7 | -8.8 | -7.1 | -9.7 | -7.3 | -8.3 | -8.6 | -8 | -8.5 | -7.7 | -9.2 | -8 | -8 | -9.7 | -8.9 | -7.4 | -7.6 | -9.2 | -9 | -8.7 | -7.9 | -9.9 | -9.2 | -8.7 | -7.3 | -9.3 | -8.3 | -7.9 | -8.6 | -8.5 | -9.7 | -7.3 | -8.4 | 0.535129 |
MHVINWXJLNPBLA-YYYOQVMGNA-N
|
O1C=2C(=C(OCC(=O)N[C@H](C(O)=O)C)C=C3OC(CCC23)(C)C)C(CC1=O)=CCC
| -9.5 | -7.8 | -8.4 | -10 | -9.1 | -8.1 | -5.5 | -7.8 | -9.1 | -6.3 | -8.6 | -7.8 | -7.6 | -9.7 | -7.4 | -8.6 | -9 | -8.4 | -9.6 | -10.9 | -6.3 | -8.6 | -9 | -8.7 | -6.4 | -8.7 | -8.5 | -8.8 | -7.7 | -8.8 | -8.9 | -8.3 | -7.8 | -8.2 | -7.8 | -8.6 | -8.4 | -8.5 | -9.8 | -8.7 | -7.4 | -7.7 | -9.7 | -9.1 | -7.4 | -8.5 | -9.4 | -8.6 | -9 | -8.4 | -9.2 | -8.4 | -8.1 | -9 | -8.7 | -8.1 | -8.4 | -6.9 | 0.540711 |
ILDXDHGIXWBHLY-UHFFFAOYNA-N
|
ON1C(C(=NC1C2=CC=CN=C2)C=3C=CC=CC3)(C)C
| -7.6 | -7.9 | -7.8 | -8.6 | -8.6 | -7.7 | -7.8 | -7 | -8.8 | -8.3 | -7.4 | -7 | -7.1 | -9.2 | -8 | -7.6 | -8.2 | -7.4 | -8.6 | -8.8 | -8.5 | -7.2 | -8.1 | -8.1 | -7.8 | -8.3 | -8 | -7.4 | -8.7 | -8.8 | -7.5 | -7.8 | -7.4 | -8.9 | -9.1 | -8.4 | -7.9 | -7.7 | -8.5 | -9.7 | -6.8 | -7.7 | -8.6 | -8.7 | -8.9 | -8.3 | -8.6 | -8.2 | -8.6 | -8.4 | -8.6 | -8.9 | -7.7 | -7.9 | -7.9 | -8.9 | -7.4 | -7.8 | 0.909397 |
MXJNVLMAAFHEFZ-UYBDAZJANA-N
|
O=C(NCCC)C1(N(CC1)C(=O)CC2=CC=C(C(C)C)C=C2)C
| -8.5 | -7.2 | -8.3 | -8.4 | -8.9 | -7.9 | -7.3 | -7 | -8.6 | -8 | -7.7 | -7.9 | -6.3 | -8.1 | -7 | -7.4 | -8.5 | -8.1 | -8.5 | -8.8 | -8.2 | -7.1 | -7.5 | -8.2 | -8 | -7.8 | -8.4 | -7.8 | -8.9 | -7.7 | -7.9 | -7.4 | -8.6 | -9 | -8.3 | -8.6 | -7.3 | -7.3 | -8.9 | -9.2 | -6.3 | -7.7 | -8.6 | -8.3 | -8.8 | -8.2 | -7.8 | -8.4 | -8.9 | -8.1 | -7.9 | -7.3 | -8.2 | -7.9 | -8.1 | -9.4 | -7.7 | -8.3 | 0.877109 |
OOHYXGIPUTUYDG-UHFFFAOYNA-N
|
ClC1=CC=C(S(=O)(=O)CC2=NC(=NC(Cl)=C2)C)C=C1
| -7.8 | -8.6 | -8.2 | -7.7 | -8 | -7.7 | -7.4 | -6.4 | -8.7 | -7.5 | -7.3 | -8.3 | -7.2 | -7.8 | -7.1 | -6.9 | -6.9 | -7 | -7.7 | -8.3 | -7.7 | -6.3 | -6.9 | -7.7 | -7.8 | -7.5 | -8.4 | -8 | -7.7 | -7.7 | -7.7 | -7.6 | -7.9 | -8.6 | -9 | -8 | -7.4 | -6.7 | -8.1 | -8.8 | -6.3 | -7.3 | -8 | -7.6 | -8 | -7.7 | -8.2 | -7.7 | -7.6 | -7.1 | -7.8 | -7.8 | -6.9 | -8.6 | -7.6 | -8.4 | -7.3 | -8 | 0.816414 |
ZSEDZCQJTNGUCJ-HXTKINSTNA-N
|
S1C2=NC=NC(N3CCC(CC3)C(=O)NC=4SC5=C(N4)C=CC(=C5)C)=C2C(=C1C)C
| -9.7 | -9.2 | -9.4 | -11.1 | -10.8 | -9.5 | -6.4 | -8.9 | -9.8 | -7.6 | -9.2 | -9.7 | -8.7 | -9.2 | -9 | -9.9 | -10.1 | -11.2 | -10.2 | -11.1 | -7.6 | -8 | -10.2 | -10.6 | -7.3 | -10 | -9 | -8.1 | -8.4 | -8.7 | -10 | -9.6 | -8.3 | -11.5 | -9.1 | -9.1 | -8.6 | -9.5 | -11.3 | -9.2 | -8.4 | -8.3 | -10.4 | -10.9 | -8.2 | -9.7 | -10 | -10.9 | -10.4 | -10 | -9.7 | -9.8 | -8.9 | -10.2 | -8.9 | -6.9 | -8.3 | -9.7 | 0.483829 |
LYVXGRDXPNTDCC-PKSOQXRJNA-N
|
ClC=1C(C(=O)NCC(OCCOC2=CC=C(OC)C=C2)=O)=CC=C(Cl)C1
| -6.8 | -8.4 | -8.3 | -8.3 | -8.5 | -6.2 | -8.6 | -6.2 | -8.1 | -7.3 | -7.7 | -8.1 | -6.2 | -9 | -7.6 | -7.4 | -7 | -8 | -8.2 | -8.2 | -8 | -6.7 | -7.6 | -8.2 | -6.7 | -6.9 | -7.9 | -7.6 | -7.5 | -7.7 | -7.8 | -6.6 | -7.3 | -8.5 | -8.9 | -8.2 | -8.1 | -6.8 | -8.1 | -9.5 | -6.5 | -7.1 | -8.3 | -8.4 | -8.6 | -7.3 | -8.7 | -8.6 | -7.9 | -7.9 | -7 | -8.1 | -7.3 | -8.2 | -6.8 | -8.9 | -7.4 | -8.7 | 0.545479 |
FERRQCUKQKYPTI-IMUSPXLDNA-N
|
ClC=1C(=CC(N/N=C/C=2SC(N3CCOCC3)=CC2)=CC1)C(O)=O
| -7.7 | -9.6 | -8.7 | -9.3 | -9.1 | -7.8 | -9.1 | -6.9 | -7.9 | -6.6 | -7.7 | -8.5 | -7.2 | -8.8 | -8 | -7.5 | -8.3 | -7.9 | -9.5 | -9.7 | -6.7 | -7.9 | -8 | -8.7 | -7.3 | -7.8 | -7.9 | -7.7 | -8.2 | -7.2 | -7.7 | -7.7 | -8.4 | -9.4 | -7.7 | -8.8 | -7.7 | -7.6 | -7.9 | -9.2 | -7.4 | -8 | -8.9 | -8.5 | -8.8 | -7.5 | -8.7 | -8.6 | -9.4 | -7.3 | -8.9 | -8 | -7.5 | -8.1 | -7.6 | -9.7 | -7 | -8.9 | 0.627276 |
CBSNGUDENDYGNT-GPQMBLKYNA-N
|
O1C=2C=C(C(O)C3=NC(C=4C=CC=CC4)=CN3)C=CC2OC1
| -9.1 | -10.1 | -9.1 | -9.8 | -9.5 | -8.7 | -10 | -7.9 | -9 | -8.2 | -8.8 | -9.7 | -7.8 | -8.9 | -8.9 | -8 | -9.2 | -9.2 | -9.2 | -9.8 | -8.6 | -7.7 | -8.4 | -9.1 | -8.5 | -8.5 | -9.2 | -8.3 | -9.1 | -8.4 | -8.9 | -7.9 | -9.3 | -9.9 | -9.2 | -9.1 | -8.7 | -8 | -8.7 | -10.3 | -7.8 | -8.1 | -9.4 | -9.6 | -9.4 | -8.8 | -10.3 | -8.6 | -9.1 | -8.8 | -9.1 | -9.2 | -8.2 | -9.7 | -8.1 | -9.9 | -8.4 | -9.1 | 0.779163 |
YYOGRTQCEAVJDB-UHFFFAOYNA-N
|
FC=1C(C2N(OC=3C2=C(O)N(C3O)C4=CC=CC=C4)C5=CC=CC=C5)=CC=CC1
| -8.4 | -9.2 | -8.4 | -8.9 | -9.6 | -8.5 | -5.9 | -8.3 | -9.4 | -6.9 | -7.8 | -8.8 | -8 | -9.7 | -8 | -8.5 | -9.4 | -8.4 | -10.4 | -10.5 | -7.8 | -8.2 | -9 | -9.6 | -6.8 | -9.5 | -8.5 | -8.3 | -8.3 | -9 | -8.5 | -8.9 | -9.7 | -9.3 | -8.4 | -8.7 | -8.5 | -8.5 | -8.4 | -8.7 | -8.1 | -8.4 | -10.3 | -10.4 | -10.4 | -9.8 | -9.2 | -8.7 | -9 | -8.4 | -10.4 | -9.5 | -8.6 | -9.1 | -8.8 | -9.7 | -9.6 | -7.5 | 0.522467 |
BJJKZMROLWEYET-UHFFFAOYNA-N
|
O1C(C2=CC3=C(C=4C(C3)=CC=CC4)C=C2)C=5C(CC1=O)=CC(OC)=C(OC)C5
| -9.8 | -10.8 | -9.6 | -10.5 | -10.6 | -9.3 | -8.1 | -8.5 | -10.8 | -7.3 | -9.8 | -7.8 | -8.1 | -10.7 | -10.7 | -9.3 | -9.5 | -10 | -11.7 | -11.7 | -6.8 | -8.6 | -10.1 | -10 | -6.3 | -9.4 | -11 | -8.3 | -10.2 | -9.5 | -10.4 | -9.4 | -8.9 | -10.4 | -8.1 | -9.1 | -9.9 | -9.9 | -10.7 | -8.8 | -8.3 | -8.2 | -11.1 | -11.2 | -10.1 | -9.6 | -10.7 | -9.3 | -10.4 | -9.3 | -10.6 | -10.4 | -8.4 | -10.8 | -9.6 | -9.1 | -9.4 | -8.4 | 0.49811 |
MMRZDJRHCVDJCD-UHFFFAOYNA-N
|
O(C=1C=2C(C=CC1)=CC=CC2)CC(O)CN(CC(O)COC=3C(C(C)C)=CC=CC3)C(C)C
| -9.3 | -7 | -8.4 | -10.1 | -10 | -7.2 | -8 | -7 | -9.3 | -7.9 | -8.4 | -6.1 | -7 | -9.3 | -7.9 | -7.8 | -7.8 | -7.6 | -8.3 | -9.7 | -7.8 | -6.8 | -7.8 | -9.1 | -8.1 | -8.9 | -7.5 | -7.9 | -9 | -7.6 | -8 | -7.4 | -8.4 | -8.8 | -8.9 | -9.2 | -7.3 | -8.3 | -8.2 | -10 | -6.6 | -7.4 | -9.6 | -8.6 | -9.2 | -8 | -8.6 | -8.8 | -8.6 | -7.9 | -8.6 | -8.6 | -6.6 | -9.1 | -8 | -9.6 | -7.9 | -8.7 | 0.412066 |
KYKABGCGXVKYCS-UHFFFAOYNA-N
|
FC(F)(F)C1=CC(CN2CC3(C2)CCN(CC3)C(=O)C4=NC=CN=C4)=CC(=C1)C(F)(F)F
| -10.5 | -8.7 | -10.6 | -10.4 | -10.3 | -9.2 | -7.4 | -9 | -9.9 | -7.9 | -9.8 | -8.1 | -8.3 | -10.5 | -8.2 | -8.2 | -9.6 | -8.2 | -9.9 | -10.8 | -7.3 | -7.7 | -9.4 | -10.4 | -6.2 | -9.9 | -9.9 | -8.2 | -9.7 | -8.3 | -9.2 | -8.7 | -8.3 | -9.5 | -8.2 | -9.4 | -9 | -9.7 | -10.2 | -10.5 | -7.6 | -7.8 | -10.4 | -10 | -9.9 | -9 | -9.2 | -11.5 | -9.9 | -10.7 | -10 | -10.1 | -8.4 | -9.5 | -8.8 | -11.4 | -9.6 | -9.7 | 0.645728 |
DKUXDICLAGEQET-BDCRCPFKNA-N
|
S(CC(=O)NC=1C(N(=O)=O)=CC(=C(C1)C)C)C=2SC(=NN2)N
| -7.8 | -8.4 | -7.9 | -9.3 | -8.4 | -8.1 | -8.5 | -7.7 | -8.2 | -7 | -8.1 | -7.6 | -7.1 | -8.3 | -8.2 | -7.3 | -8.2 | -7.6 | -8.8 | -9.4 | -8.1 | -7.7 | -7.5 | -7.9 | -7.4 | -7.8 | -8.2 | -7 | -8.8 | -7.8 | -8.5 | -7.4 | -7.9 | -8 | -7.8 | -8.2 | -7.8 | -7.2 | -8 | -9.6 | -6.8 | -7.3 | -8.4 | -8.2 | -8.3 | -8.1 | -8.6 | -8 | -8.8 | -8.2 | -8.6 | -8.2 | -7.3 | -8.1 | -7.2 | -8 | -8.3 | -7.6 | 0.486545 |
DUCVWAQYDPRPKD-JJPCEAMTNA-N
|
O1[C@@H]2[C@H]3OC(O[C@H]3O[C@@H]([C@@H]2OC1(C)C)C(=O)NC4=CC(=CC=C4)C(=O)C)(C)C
| -9.1 | -8.9 | -9.3 | -9 | -10.3 | -8.6 | -5.9 | -8.2 | -10.3 | -8.6 | -8.6 | -8 | -7.9 | -9.3 | -8.5 | -9.8 | -9.8 | -8.8 | -10.9 | -10.4 | -8.4 | -7.8 | -9 | -10.4 | -7.1 | -9 | -8.7 | -9.5 | -10.4 | -8.5 | -9.2 | -8.4 | -8.2 | -8.7 | -8.4 | -7.4 | -8.4 | -8.4 | -9.2 | -10 | -7.6 | -8.6 | -10.1 | -10.3 | -10.3 | -9.3 | -9.1 | -8.5 | -9.5 | -8.8 | -9.9 | -8.2 | -9 | -8.9 | -8.7 | -7.8 | -9.8 | -7.7 | 0.790048 |
OVDSCCOHEKDPTB-XQMQJMAZNA-N
|
FC(F)(F)C=1C(C(=O)NC(=O)NCCC)=CN=CC1
| -7.2 | -8.3 | -8 | -8 | -8 | -7 | -7.6 | -6 | -7.9 | -7.7 | -7.1 | -7.8 | -6.3 | -8.5 | -6.4 | -6.9 | -7.4 | -7.1 | -7.3 | -8 | -7.3 | -5.8 | -6.8 | -7.3 | -7.5 | -7.3 | -7.5 | -7.4 | -7.2 | -7.1 | -7.1 | -7.3 | -7.5 | -7.6 | -8 | -7.2 | -7.5 | -7 | -7.6 | -8.3 | -6.2 | -6.7 | -7.8 | -7.8 | -7.7 | -7.1 | -7.1 | -7 | -8.2 | -6.7 | -8.3 | -7.7 | -6.7 | -7.5 | -7 | -8.3 | -6.8 | -7.3 | 0.885285 |
ZYXBNNFHOPHJFO-HCKMINDGNA-N
|
O1C(CCC1)CNC(=O)COC(=O)C=2C=CC(OCC)=CC2
| -7.7 | -8.2 | -7.7 | -8 | -7.7 | -6.8 | -8.6 | -6.3 | -8.2 | -6.8 | -6.9 | -7.9 | -6 | -8.3 | -7.5 | -7 | -7.3 | -7.5 | -7.6 | -8.3 | -6.8 | -6.9 | -6.3 | -7.6 | -6.6 | -7.1 | -7.7 | -6.7 | -8.1 | -6.4 | -6.9 | -6.6 | -7.8 | -8 | -8.3 | -7.8 | -7.8 | -6.8 | -7.5 | -9.1 | -5.9 | -6.7 | -7.2 | -7.8 | -7.9 | -7.1 | -8 | -7.8 | -7.9 | -7.4 | -7.1 | -7.7 | -6.4 | -7.6 | -7 | -8.6 | -7 | -8 | 0.773488 |
RNZNIDGDOCXPQM-MPIMZMORNA-N
|
S(=O)(=O)(N1CC(CCC1)C(=O)NCCCN2C(CCCC2)C)C3=CC=C(C=C3)C
| -8.7 | -7.6 | -8.6 | -9.5 | -10 | -8.1 | -7.2 | -6.4 | -8.8 | -6.3 | -7.8 | -7.8 | -7 | -8.6 | -7.5 | -7.5 | -8.1 | -7.5 | -8.6 | -9.2 | -7.8 | -6.8 | -9.3 | -9.5 | -8.3 | -8.6 | -8.2 | -8.1 | -8.9 | -7.3 | -7.9 | -8.2 | -8.3 | -8.8 | -7.9 | -9.3 | -8.1 | -8.6 | -9.4 | -9.9 | -6.9 | -8 | -9.4 | -9.6 | -9.2 | -8.7 | -8.7 | -8.5 | -8.6 | -8.4 | -8.6 | -8.4 | -8.2 | -9.2 | -8 | -9.1 | -7.9 | -8.2 | 0.68756 |
OPQBLXBNKLNROR-WXRBYKJCNA-N
|
ClC=1C(C2SCC(=O)N2)=CC=CC1
| -6.2 | -7.2 | -6.9 | -7 | -7.1 | -6.7 | -7.4 | -5.6 | -6.9 | -6.6 | -6.4 | -6.9 | -5.7 | -7.3 | -6 | -6.1 | -6 | -6.4 | -6.4 | -7.3 | -6.5 | -6.6 | -6.6 | -6.5 | -6.6 | -6.3 | -7.1 | -6.5 | -6.8 | -5.7 | -6.4 | -6 | -7.4 | -6.9 | -7 | -6.3 | -6.4 | -6.1 | -7.1 | -7.8 | -5.7 | -5.8 | -6.4 | -6.8 | -6.7 | -5.9 | -6.1 | -6 | -6.9 | -6.1 | -6.8 | -6.5 | -5.9 | -7 | -5.8 | -7.3 | -6.2 | -6.2 | 0.775189 |
SPRHSYINNXTBMX-BPTARABTNA-N
|
FC(F)(F)C1=C(C=CC=C1)/C=N/NC(=O)C2=CC=3NC=NC3C=C2
| -8.8 | -10.7 | -9.4 | -9.9 | -10.1 | -8.7 | -11 | -7.7 | -8.9 | -8.6 | -9 | -10.1 | -9.4 | -10.6 | -8.9 | -8.3 | -8.7 | -8.8 | -9.6 | -10.4 | -9.1 | -8.3 | -8.4 | -8.7 | -9.4 | -9.1 | -8.9 | -8.6 | -9.3 | -8.2 | -9.1 | -9.1 | -9.2 | -10.4 | -8.5 | -9.4 | -9.1 | -8.3 | -9 | -9.7 | -7.8 | -8 | -9.2 | -9.1 | -9 | -9.2 | -9.8 | -9.4 | -9.1 | -9 | -9.9 | -8.9 | -8.3 | -9.6 | -8.8 | -10.8 | -7.9 | -9.9 | 0.570324 |
BRRXVIYHKJVPLM-UHFFFAOYNA-N
|
S(=O)(=O)(NCC1=CC=2OCOC2C=C1)C=3C(=NN(C3)C)C
| -7.8 | -9 | -8.6 | -8.4 | -8.1 | -7.5 | -8.3 | -6.9 | -8.4 | -7.5 | -7.6 | -8.7 | -7 | -9.2 | -8 | -7.7 | -7.8 | -8.4 | -8.5 | -9.1 | -8.1 | -7.2 | -7.6 | -8.1 | -7.8 | -7.4 | -8.1 | -7.2 | -8 | -7.5 | -7.9 | -7.8 | -8 | -8.6 | -8.6 | -8 | -7.2 | -7 | -7.7 | -9.3 | -6.4 | -7.3 | -8.3 | -8.3 | -8.4 | -7.9 | -8.1 | -8.3 | -8.3 | -8.1 | -8.4 | -8.2 | -7.4 | -8.3 | -7.5 | -8.8 | -7.4 | -7.8 | 0.908487 |
QECONBDPHOKWPN-NPQUBYNZNA-N
|
S1C=2CC(CCC2C(=C1NC(=O)C3=CC(OC)=C(OC)C(OC)=C3)C(O)=O)C
| -8.2 | -8.8 | -7 | -9 | -8.6 | -8.7 | -8.7 | -7.3 | -7.9 | -6.8 | -7.6 | -7.1 | -6.9 | -8.2 | -7.9 | -8.1 | -8.1 | -8.1 | -8.9 | -9.2 | -5.8 | -7.1 | -8.2 | -8.1 | -6.1 | -8.2 | -8.4 | -7.2 | -7.9 | -7.6 | -8.5 | -7.8 | -8 | -7.6 | -7.3 | -8.3 | -7.9 | -7.6 | -8.5 | -8.5 | -6.7 | -7.3 | -8.8 | -8.7 | -8.1 | -7.8 | -8.2 | -8.6 | -7.8 | -7 | -8.9 | -8.4 | -7 | -9 | -7.6 | -7.8 | -7.1 | -8.2 | 0.758164 |
MIRHJXKFLNBQHA-QFJRXEJMNA-N
|
ClC=1C=C(CN(C[C@H]2OC=3C(C(=O)N(C[C@@H]2C)[C@@H](CO)C)=CC(NC(=O)CN4N=NN=C4)=CC3)C)C=CC1Cl
| -9 | -8 | -9.4 | -11 | -9.2 | -8.6 | 1.6 | -8.9 | -8.7 | -7.3 | -8.7 | -9.1 | -9 | -9.4 | -8.4 | -7.6 | -10.3 | -9.1 | -10.8 | -9.8 | -6.3 | -8.4 | -9.6 | -10.9 | -6.9 | -8 | -8.6 | -7 | -7.9 | -8.7 | -9.6 | -9.6 | -7.8 | -9.4 | -8.4 | -8 | -9.2 | -9.4 | -8.7 | -9.2 | -7.5 | -7.6 | -10 | -10.5 | -9.6 | -9 | -8.4 | -8.8 | -9.7 | -9.1 | -11 | -8.5 | -8.7 | -9.2 | -8.7 | -6.3 | -9 | -8.8 | 0.398547 |
PEMYTLBDVVZXOM-UHFFFAOYNA-N
|
FC1=CC=C(N2CCN(C(=O)C3=CC(N4C(O)=C5C(C6CC5C=C6)=C4O)=CC=C3)CC2)C=C1
| -10.2 | -11.5 | -10.5 | -10.1 | -11.5 | -9.9 | -4.4 | -9.1 | -10.6 | -8.2 | -9.4 | -10.8 | -9.1 | -10.6 | -8.4 | -9.4 | -11.1 | -10.1 | -10.9 | -12.3 | -7.1 | -8.8 | -10.7 | -12.7 | -8.1 | -9.8 | -10.2 | -8.5 | -9.1 | -9.4 | -9.1 | -8.9 | -9.8 | -10.6 | -9.5 | -9.2 | -10.4 | -9.6 | -9.9 | -11.3 | -8.4 | -10.2 | -11.4 | -11.3 | -10.3 | -10 | -10.5 | -10.5 | -10.1 | -9.1 | -11.3 | -9.7 | -8.8 | -10.6 | -9.2 | -8.8 | -9.8 | -9.8 | 0.595157 |
QFLGNXRBLXWICJ-PKSOQXRJNA-N
|
ClC=1C(NC(=O)N=C2C(N(N(C2=O)C3=CC=CC=C3)C)C)=CC(Cl)=CC1
| -9 | -8 | -7.9 | -8.9 | -9.3 | -8.2 | -6.5 | -7.3 | -10 | -6.5 | -8.4 | -7.9 | -6.7 | -8.6 | -8.2 | -8.4 | -9 | -8.3 | -9.1 | -8.9 | -8 | -6.3 | -9.1 | -9.2 | -6.2 | -7.4 | -8.8 | -6.9 | -9.4 | -8.4 | -8.4 | -7.7 | -9.8 | -9.2 | -6.8 | -7.9 | -7.8 | -8.2 | -9.1 | -8.8 | -7.3 | -8.2 | -9.5 | -10.2 | -9.7 | -9.9 | -8.9 | -8.1 | -8 | -8.8 | -9.5 | -8.6 | -8 | -8.9 | -8 | -8.1 | -8.9 | -8.8 | 0.83268 |
ARIIQDCGHDCOLG-UHFFFAOYNA-N
|
O1C(=NC=2C1=CC=CC2)C=3C4=C(N(CCCCC)C3N)C(=O)N(N=C4N(=O)=O)CC
| -8.6 | -8.3 | -8.3 | -9.2 | -8.6 | -8.1 | -5.1 | -7.9 | -8.7 | -7.1 | -8 | -7.4 | -7.3 | -9 | -7.9 | -7.7 | -8.6 | -8.1 | -9 | -10 | -6.4 | -7.3 | -8.2 | -9.2 | -6.4 | -8.9 | -8.6 | -7.2 | -6.7 | -8.4 | -8.2 | -8.1 | -6.9 | -8.3 | -7.4 | -7.5 | -7.8 | -7.7 | -9 | -8.8 | -7.6 | -8.2 | -9.4 | -9.1 | -7.7 | -8.4 | -8.6 | -7.7 | -8.9 | -8.2 | -9 | -8.8 | -6.8 | -8.7 | -8.6 | -6.7 | -7.5 | -7.1 | 0.278603 |
GFPDNFLOTNLIEH-YHSKDTNENA-N
|
S(=O)(=O)(N1CCCC1)C2=CC=C(N(C(C)C)CC(=O)N)N=C2
| -7 | -8.2 | -8.4 | -7.4 | -7.7 | -7 | -7.1 | -6.5 | -7.4 | -6.3 | -7.2 | -7.1 | -6.6 | -7 | -6.5 | -7 | -7 | -7.5 | -7.5 | -8.5 | -7.9 | -6.2 | -7 | -7.3 | -7.1 | -7.2 | -6.9 | -6.4 | -7.6 | -6.3 | -7.4 | -6.7 | -6.7 | -6.9 | -7.6 | -7.1 | -7.1 | -6.3 | -7.8 | -7.7 | -6.2 | -6.4 | -7.6 | -7.8 | -8.5 | -7.6 | -7 | -7.7 | -7.8 | -6.9 | -8.4 | -6.6 | -7 | -6.9 | -6.6 | -8.7 | -6.9 | -7.2 | 0.823998 |
NJOBYSGFFTWWDK-UHFFFAOYNA-N
|
S(=O)(=O)(N1CCCCC1)C2=C(ON=C2C)C
| -6.1 | -8.2 | -7.2 | -6.6 | -7.2 | -6.6 | -6 | -6.5 | -7.5 | -7.3 | -7 | -6.9 | -6.1 | -6 | -5.5 | -6.6 | -6.5 | -6.4 | -6.4 | -7.4 | -6.8 | -5.1 | -6.2 | -6.9 | -7.2 | -6.7 | -6.6 | -7.3 | -6.7 | -6.2 | -6.3 | -6.4 | -6.6 | -7 | -7.5 | -7.3 | -6.6 | -6 | -7.2 | -8.3 | -6.2 | -6.4 | -6.9 | -7.2 | -7.2 | -7.4 | -7 | -6.3 | -7 | -6.2 | -7 | -6.9 | -6.6 | -6.4 | -6.5 | -7.5 | -6.7 | -7.2 | 0.78987 |
XFNYPKMLEDLIQE-HCKMINDGNA-N
|
S(=O)(=O)(N1CCCCC1)C=2SC(=NN2)NC(=O)COC=3C=C(C=CC3)C
| -9.4 | -9.6 | -9.7 | -9.7 | -10 | -8.6 | -9.2 | -7.7 | -9 | -8.2 | -8.3 | -8.6 | -8.2 | -9.2 | -8.9 | -8.5 | -9.3 | -9.6 | -10 | -11.4 | -7.8 | -8.4 | -9.6 | -9.7 | -7.8 | -9 | -8.9 | -9 | -9.3 | -8.1 | -8.2 | -8 | -9.4 | -9.8 | -8.2 | -9.8 | -9.1 | -7.9 | -8.4 | -9.9 | -7.7 | -8 | -9.5 | -9.4 | -9.1 | -9.1 | -9.4 | -9.6 | -9.7 | -9.9 | -9.2 | -8.9 | -7.9 | -8.9 | -8.6 | -10.6 | -9.2 | -9.7 | 0.749976 |
NQDWRAUSHJOYPK-UHFFFAOYNA-N
|
S(=O)(=O)(N(CC(=O)N1CCCCCC1)C2=CC=C(C(C)C)C=C2)C3=C(ON=C3C)C
| -7.6 | -8.5 | -8.1 | -8.6 | -9.7 | -8.4 | -5.3 | -7.3 | -9.3 | -9.2 | -7.1 | -7.5 | -8.1 | -8.8 | -7.7 | -7 | -8.9 | -8.7 | -9.5 | -10.5 | -8.8 | -7.6 | -9.2 | -8.8 | -6.4 | -8.4 | -9.1 | -6.8 | -8.9 | -7.6 | -8.4 | -7.8 | -7.1 | -8.4 | -8.1 | -7 | -8 | -8.1 | -8.8 | -11.6 | -6.7 | -8.4 | -9.4 | -10.1 | -10.4 | -9.2 | -7.9 | -8.7 | -7.9 | -7.7 | -10.1 | -7.2 | -8.5 | -8.5 | -7.7 | -6.5 | -8.5 | -7.4 | 0.687164 |
IXOFYFZRTXYNDM-HCKMINDGNA-N
|
ClC1=CC=2NC(=O)C3=C(NC2C=C1)C=CC(OC)=C3
| -8.1 | -10 | -7.6 | -9.9 | -8.1 | -8.5 | -8.3 | -6.9 | -8.2 | -7.8 | -7.9 | -8.2 | -7.9 | -9 | -9.5 | -7.9 | -7.8 | -8.4 | -8.6 | -9.5 | -8.9 | -7.1 | -7.5 | -8.2 | -9 | -8 | -9.4 | -7.9 | -8.7 | -7.9 | -8.9 | -7.9 | -8.4 | -10 | -9 | -8.6 | -7.2 | -7.6 | -8.7 | -9.6 | -6.4 | -7.7 | -8.5 | -8.3 | -8.7 | -8 | -8.5 | -7.9 | -8 | -8.8 | -8.8 | -8.8 | -7.4 | -8.9 | -8.2 | -8.7 | -7.8 | -7.6 | 0.83432 |
JLWMFXRNZIVASL-LQFNOIFHNA-N
|
S1N=NC(C(=O)N(C2CCCC2)C(C(=O)NC3CCCC3)C=4C(OCC)=CC=CC4)=C1
| -8.6 | -6.7 | -5.9 | -7.6 | -7.9 | -7.4 | -4.7 | -7.3 | -8.9 | -5.9 | -6 | -7.3 | -6.7 | -6.4 | -6.5 | -6 | -7.7 | -7.1 | -8.5 | -7.6 | -5.6 | -5.4 | -7.5 | -8.6 | -5.2 | -6.1 | -7.1 | -6.5 | -6.8 | -5.9 | -5.5 | -7 | -7.3 | -6.8 | -6.1 | -8.3 | -7.7 | -7.5 | -6.9 | -8.9 | -6 | -6.6 | -8.5 | -9 | -6.3 | -7.6 | -7 | -7.2 | -7.6 | -7 | -8.2 | -6.5 | -6.8 | -7.6 | -7.7 | -7.2 | -7.4 | -6.5 | 0.664711 |
CPLPVGSCSXWZNX-YCJMLIJMNA-N
|
S1C(CC(=O)N[C@H]2[C@H](OCC3=CC=CC=C3)CCC=4C2=CC=CC4)=CC=C1
| -9.9 | -8 | -8.5 | -9.4 | -9.8 | -8 | -6.2 | -7.5 | -9.6 | -9.6 | -8.4 | -7.9 | -7.6 | -9 | -7.1 | -8.1 | -8.1 | -8.6 | -9.5 | -10.1 | -9.3 | -8 | -9 | -7.8 | -6.5 | -8.1 | -8.6 | -10.1 | -8.6 | -9 | -8 | -8.2 | -8.6 | -8.9 | -9.3 | -8.9 | -7.8 | -8.1 | -9.2 | -10.3 | -7.5 | -7.9 | -9.8 | -10.5 | -10.7 | -9.2 | -8.7 | -7.9 | -9 | -8.8 | -9.4 | -7.9 | -8.6 | -9 | -8.4 | -8.6 | -8.1 | -8.2 | 0.677306 |
WEIHNHDMVCFGRA-UHFFFAOYNA-N
|
O1C=2C(C=C(C1=O)C(OCCC)=O)=CC=CC2
| -7.7 | -8.2 | -7.3 | -8.4 | -7.9 | -7.1 | -7.5 | -6.1 | -7.9 | -7.4 | -6.9 | -7.7 | -6.4 | -7.9 | -8.2 | -6.7 | -7.1 | -7.6 | -7.7 | -8 | -7.7 | -7.6 | -6.7 | -7.2 | -7.3 | -7 | -8.2 | -7.8 | -7.3 | -7.2 | -7.5 | -6.9 | -7.2 | -8 | -8.4 | -7.4 | -7.5 | -6.5 | -7.6 | -8.8 | -6 | -7.2 | -7.4 | -7.4 | -7.4 | -7.1 | -8.1 | -7.3 | -7.3 | -6.7 | -7.9 | -7.5 | -6.9 | -8.2 | -6.8 | -8.1 | -6.8 | -7.8 | 0.601763 |
QMCUEPKMXSQOAE-UYBDAZJANA-N
|
S(C=1N(C(=NN1)C2=C(C=CC=C2)C)C)CC(=O)NC=3C=CC(OC)=CC3
| -8.6 | -9.7 | -8.7 | -9.6 | -9.5 | -8.1 | -8.3 | -7.2 | -8.9 | -7.7 | -8.2 | -8.7 | -7.6 | -9.2 | -7.6 | -8 | -8.7 | -8.7 | -8.8 | -9.2 | -7 | -7.3 | -8.4 | -8.8 | -6.7 | -8.5 | -8.6 | -8 | -9 | -7.6 | -7.6 | -8.1 | -9.1 | -9.2 | -8.6 | -9.3 | -7.9 | -8 | -8.5 | -10 | -6.8 | -7.8 | -9.4 | -9.5 | -9.3 | -8.9 | -9.1 | -9.1 | -9.1 | -8.7 | -8.9 | -8.2 | -7.9 | -8.5 | -7.5 | -10.1 | -8.2 | -9.5 | 0.674251 |
AIRBNVWMSLSMDV-QMLCPYSLNA-N
|
S(C(C(OC(C)(C)C)=O)(C)C)C=1SC(=NN1)N
| -6.5 | -6.7 | -6.6 | -6.2 | -6.2 | -5.8 | -5.2 | -5.8 | -7 | -6.4 | -5.5 | -6.3 | -5.7 | -6.5 | -5.1 | -5.9 | -5.8 | -6.2 | -6 | -7.7 | -6.3 | -5 | -6 | -6.8 | -6.6 | -6.4 | -6 | -6.5 | -6.3 | -5.6 | -5.7 | -5.4 | -5.8 | -6.2 | -7.2 | -6.7 | -5.7 | -5.6 | -5.9 | -7 | -4.8 | -6.3 | -6.3 | -6.2 | -6.9 | -6.1 | -6.1 | -6.7 | -6.4 | -5.9 | -7.1 | -5.8 | -6 | -5.8 | -5.6 | -6.7 | -6.3 | -6 | 0.67355 |
LPVZIQAZVXUSHP-XLPWQTOTNA-O
|
O=C(NC1CCCCC1)N(CCC[N+](C)(C)C)CC2=CC=3OCOC3C=C2
| -7.5 | -8 | -7.6 | -8.1 | -8.1 | -6.8 | -5.2 | -7 | -8.1 | -7.6 | -6.6 | -7.2 | -6.7 | -7.8 | -6.8 | -6.9 | -7.5 | -8.5 | -8.7 | -8.7 | -6.9 | -7 | -8 | -8.3 | -5.7 | -7.3 | -7.7 | -6.4 | -7.6 | -7.2 | -7.8 | -7.1 | -7.2 | -8.2 | -9.1 | -7.1 | -7 | -7.5 | -8 | -9.5 | -6.6 | -6.8 | -8.2 | -8.8 | -8.5 | -7.7 | -8 | -7.4 | -8.4 | -7.7 | -8.8 | -8.4 | -6.7 | -7.9 | -7.7 | -7 | -7.8 | -6.1 | 0.74265 |
NYNGBTTWDCIQQM-UYBDAZJANA-N
|
FC=1C=C(C(=O)NCC(N2CCOCC2)C=3OC=CC3)C=CC1F
| -9.4 | -8.2 | -9 | -8.8 | -8.9 | -7.9 | -7.2 | -7 | -8.1 | -8 | -8.1 | -8 | -7 | -8.5 | -8.1 | -7.7 | -7.8 | -8.7 | -8.7 | -9.2 | -9.1 | -7.3 | -7.8 | -8.5 | -7.7 | -8 | -8.5 | -7.9 | -8.8 | -7.9 | -8.1 | -7.5 | -8.2 | -8.8 | -8.7 | -8.1 | -7.5 | -7.8 | -8 | -10.4 | -6.8 | -7.6 | -8.6 | -8.8 | -8.9 | -9 | -8.6 | -8.1 | -8.3 | -8.2 | -9 | -8.3 | -8.2 | -8.6 | -7.8 | -9.1 | -8 | -8.3 | 0.910712 |
VVEUZFALVFLZCW-LQFNOIFHNA-N
|
S(=O)(=O)(N1CCCCC1)C=2C=C(NC(=O)CCOC3=C(C=CC(=C3)C)C)C(=CC2)C
| -10.1 | -9.8 | -9.3 | -10.2 | -10.8 | -9.3 | -6.7 | -7.4 | -9.7 | -8.1 | -8.4 | -8.6 | -7.6 | -9.3 | -9.1 | -9 | -9.5 | -9.7 | -9.7 | -10.7 | -8.3 | -7.8 | -10 | -9.6 | -9.1 | -9.2 | -9.6 | -8.9 | -10 | -8.1 | -8.9 | -8.9 | -9.3 | -9 | -9.2 | -10.4 | -9.4 | -9.2 | -10 | -11.2 | -7.8 | -7.7 | -9.8 | -10 | -9.5 | -9.1 | -10.3 | -9.6 | -9.7 | -9.4 | -9 | -9 | -8.1 | -9.5 | -8.8 | -9.4 | -9.4 | -9.6 | 0.714494 |
AIWNJNPZQPWYPB-MPIMZMORNA-N
|
FC=1C=C(CCN2CC(CCC2=O)C(=O)NCC3CCCCC3)C=CC1
| -7.9 | -9.3 | -9.4 | -9.7 | -9.9 | -8.1 | -8.3 | -7.4 | -9.4 | -9 | -9 | -8.1 | -7.9 | -9.6 | -8.4 | -8.2 | -8.1 | -9.2 | -9.3 | -9.4 | -8.7 | -6.9 | -8.7 | -9.1 | -9 | -8.3 | -8.9 | -8.2 | -9.3 | -8.7 | -8.4 | -8 | -8.9 | -9.8 | -9.7 | -9.3 | -8.3 | -8.4 | -8.8 | -10.8 | -7.1 | -7.9 | -9.4 | -10.3 | -9.8 | -8.8 | -9.7 | -9.1 | -9.7 | -8.8 | -9.5 | -8.3 | -8.5 | -9.2 | -8.3 | -10.6 | -8.7 | -8.7 | 0.846136 |
YUHBXEPNLPZMIE-QWOVJGMINA-N
|
S(CC(=O)N(CC(C)C)C1C(N(CCCC)C(=O)NC1=O)=N)C2=CC=C(N(=O)=O)C=C2
| -7.6 | -7.5 | -7.5 | -8.1 | -8.9 | -7.7 | -5.2 | -7.2 | -8.9 | -6.1 | -7.7 | -6.7 | -7.1 | -7.7 | -6.7 | -6.8 | -7.9 | -7.7 | -9.3 | -8.5 | -6.8 | -6.8 | -8.4 | -8.6 | -5.4 | -7.3 | -7.6 | -7.2 | -8.6 | -7.1 | -7.4 | -7 | -8.1 | -8 | -7 | -8.3 | -7.2 | -7.3 | -7.3 | -9.2 | -6.5 | -7.2 | -9 | -8.6 | -8.6 | -8.1 | -8 | -7.5 | -7.7 | -8.2 | -8.7 | -7.5 | -7.3 | -7.7 | -7.8 | -8.2 | -8 | -6.4 | 0.320089 |
BIIREWCUFLOKOS-XBTAAFKLNA-N
|
ClC=1C=C(CNC(=O)C2=NNC(C3=C(C=C(OC)C=C3)C)=C2)C=CC1
| -9.7 | -10.1 | -9.2 | -10 | -9.8 | -9 | -10.3 | -7.4 | -9.1 | -8.2 | -8.4 | -10 | -8.1 | -10 | -9.3 | -8.6 | -9.4 | -9.2 | -10 | -10.4 | -7.6 | -8.1 | -8.5 | -9.1 | -6.8 | -8.6 | -9 | -8.8 | -10 | -8.7 | -8.7 | -8.3 | -10 | -10.3 | -8.6 | -9 | -9.3 | -8.7 | -9.1 | -10.9 | -7.2 | -8.9 | -9.6 | -9.5 | -9.2 | -8.6 | -9.8 | -9.6 | -9.6 | -9 | -9.2 | -8.4 | -8.1 | -9.8 | -9.3 | -9.6 | -8.6 | -10.1 | 0.727125 |
VPUABVMXCIVHHF-UYBDAZJANA-N
|
ClC=1C=C2S(=O)(=O)C3=C(C(=O)C2=CC1)C=CC(C(=O)NCC4CC4)=C3
| -8.9 | -10.3 | -8.4 | -10.5 | -9.1 | -9.6 | -8.5 | -7.6 | -9 | -7 | -8.5 | -7.1 | -7 | -8.3 | -8.7 | -8.3 | -8.6 | -8.4 | -9.1 | -10.6 | -8.7 | -7.8 | -8.7 | -8.8 | -7.8 | -8.9 | -9.1 | -7.8 | -10 | -9.4 | -9 | -8.7 | -9.1 | -8.6 | -8.3 | -9.5 | -8.7 | -8.6 | -9.8 | -9.5 | -7.2 | -8.4 | -9.7 | -9.2 | -8.9 | -8.9 | -9.5 | -9.3 | -10 | -7.8 | -9.1 | -9.5 | -8.4 | -9.2 | -8.6 | -10 | -8.3 | -8.6 | 0.762876 |
YNIQRSNRVWRIGG-LILDFLRNNA-N
|
S1(=O)(=O)N(CC(=O)NC(CC2=CC=CC=C2)C)C(=O)C3=C1C=CC=C3
| -9.4 | -9.4 | -9 | -8.6 | -9.5 | -8.1 | -10.1 | -7.1 | -10 | -7.2 | -8 | -8.3 | -7.4 | -9.1 | -7.8 | -7.7 | -8.1 | -10.1 | -9.4 | -10.6 | -9.4 | -7.5 | -8.7 | -9.2 | -7.9 | -8.8 | -8.7 | -7.5 | -9.2 | -7.2 | -8.3 | -7.9 | -9.4 | -8.5 | -8.7 | -9 | -9.3 | -8.2 | -9.2 | -10.7 | -6.8 | -8.1 | -9.8 | -10.2 | -9.5 | -9.7 | -9.7 | -9.3 | -9.1 | -8.9 | -9.1 | -8.3 | -8.1 | -9 | -7.5 | -10.3 | -8.8 | -9.3 | 0.879518 |
LZJVAMKMLYAEQZ-NDKGDYFDNA-N
|
ClC=1C=C(N(S(=O)(=O)C)CC(=O)O)C=CC1C
| -6.4 | -7.6 | -6.6 | -6.9 | -7 | -6.8 | -6.4 | -5.8 | -7.2 | -6.4 | -6.5 | -5.5 | -5.9 | -7.1 | -6.7 | -6.3 | -6.6 | -6 | -6.8 | -7.4 | -7.1 | -5.4 | -6.8 | -6.9 | -6.8 | -6.6 | -7.3 | -6.9 | -6.7 | -6.6 | -6.7 | -6.2 | -6.4 | -7 | -7.5 | -6.8 | -6.7 | -5.8 | -7.2 | -8.6 | -5.9 | -6.5 | -6.7 | -7 | -7.5 | -6.8 | -6.6 | -6.7 | -6.3 | -5.8 | -7.3 | -6.8 | -6.4 | -7.2 | -6.6 | -7.1 | -6.2 | -6.9 | 0.904916 |
AFBGLCQQXKRNDC-UHFFFAOYNA-N
|
S(=O)(=O)(C1=CN(C=2C(C1=O)=CC(OCC)=CC2)CC3=C(C=CC(=C3)C)C)C4=CC=C(OCC)C=C4
| -9.3 | -7.8 | -8.7 | -9 | -9.9 | -8.7 | -6 | -7.9 | -10 | -6.6 | -7.9 | -7.3 | -8.4 | -10.3 | -6.7 | -8.2 | -9 | -8.3 | -10.8 | -9.9 | -7 | -7.8 | -8.9 | -9.7 | -5.7 | -8.7 | -8.9 | -8 | -7.4 | -8.9 | -8.2 | -9.4 | -7.8 | -8.9 | -8.3 | -8.3 | -7.7 | -9.7 | -9.3 | -10.8 | -8 | -8.5 | -9.4 | -10.5 | -8 | -8.5 | -9.6 | -8.5 | -8.5 | -8.5 | -10.2 | -8.6 | -8.4 | -9.9 | -9.5 | -7.1 | -9.3 | -7.4 | 0.334521 |
TXEVLGXTEJXXDR-UHFFFAOYNA-N
|
O=C1N(N=C(C=2C(O)=CC=CC2)C)C(NC3=C1C=CC=C3)C4=CC=CC=C4
| -8.3 | -8.4 | -8.6 | -10.1 | -9.7 | -8.9 | -5.7 | -7.9 | -10.2 | -8.5 | -8.5 | -8.4 | -7.5 | -9.8 | -7 | -8 | -9.1 | -8.8 | -10.4 | -11.6 | -9.7 | -7.6 | -8.9 | -8.9 | -6.4 | -9.1 | -8.6 | -8.1 | -8.8 | -8.7 | -8.9 | -8.8 | -7.2 | -9.2 | -10.2 | -8.2 | -8.1 | -8.3 | -10.5 | -8.7 | -7.4 | -7.8 | -10.8 | -10.1 | -9.9 | -9.1 | -10 | -8 | -8.9 | -9.3 | -10.1 | -9.7 | -7.5 | -9.4 | -8.4 | -9.2 | -9.1 | -7.1 | 0.683717 |
QPOUGVMBYXQDQR-UHFFFAOYNA-N
|
S(=O)(=O)(N1CCN(CC1)C(=O)COC(=O)C=2OC3=C(C2C)C=C(OC)C=C3)C4=CC=C(C=C4)C
| -9.8 | -8.9 | -9.8 | -11 | -10.7 | -8.6 | -7.4 | -8.4 | -11.1 | -8.2 | -9.3 | -8.4 | -8.8 | -9.8 | -9.3 | -8.3 | -9.2 | -9.5 | -10.6 | -9.7 | -7.5 | -8.3 | -9.8 | -11 | -6.8 | -9.2 | -10 | -9 | -9.7 | -8.5 | -9.1 | -8.5 | -9.1 | -9.8 | -9.1 | -10.3 | -7.8 | -9.4 | -9.4 | -10 | -8.2 | -8.8 | -10.4 | -10.2 | -9.9 | -10.1 | -10.5 | -9.4 | -9.1 | -9.5 | -10.5 | -9.6 | -8.7 | -9.4 | -9.1 | -8.6 | -9.3 | -10.3 | 0.493341 |
RCNNPKVZVYQDCH-UHFFFAOYNA-N
|
O1C2=C(OC1)C=CC(=C2)C=3OC(=NN3)C4=CC(N(=O)=O)=CC=C4
| -9.2 | -10.9 | -9.4 | -10.2 | -10.2 | -8.6 | -10.1 | -8.1 | -9.3 | -8.1 | -8.5 | -9.9 | -8.3 | -10.2 | -10 | -8.5 | -9.3 | -10 | -9.9 | -11.1 | -8.9 | -8.9 | -8.6 | -8.9 | -7.3 | -8.7 | -9.5 | -8.3 | -9.5 | -9.3 | -9.2 | -9.1 | -9.4 | -10.2 | -9.1 | -9.6 | -9.1 | -8.8 | -9.5 | -9.9 | -7.7 | -8.6 | -9.8 | -9.2 | -9.5 | -9.3 | -9.6 | -9.3 | -10 | -8.8 | -10.2 | -9.2 | -8.8 | -10.2 | -9.1 | -10.8 | -8.8 | -9.9 | 0.540899 |
ZRMQWNCKTYPFMP-QWOVJGMINA-N
|
O=C1C2=C(C3=C1C=CC=C3)C(=CC=C2)C(=O)NC=4N=C(C=CC4)C
| -10.4 | -10.5 | -10.5 | -10.3 | -10.6 | -9.6 | -10.6 | -8.2 | -10.8 | -9.8 | -10.6 | -8.4 | -9.3 | -13.1 | -9.3 | -9.3 | -9.6 | -10.1 | -10.5 | -12 | -9.5 | -8.9 | -10 | -9.7 | -7.7 | -10.5 | -10.2 | -9.3 | -10.1 | -10 | -11.6 | -9.6 | -9.1 | -9.8 | -9.8 | -10.7 | -10 | -9.6 | -11.3 | -12.6 | -8.2 | -8.3 | -10.3 | -10.7 | -10.5 | -9 | -10.5 | -9.8 | -11.1 | -9.1 | -10 | -10.5 | -8.5 | -11 | -9.8 | -11.4 | -9.2 | -8.1 | 0.611095 |
IAZHEPVKAKJSKD-LQFNOIFHNA-N
|
O1C(=NC=2C1=CC=CC2)C3=CC=C(NC(=O)CN4C(=O)C=5C(C4=O)=CC=CC5)C=C3
| -10.3 | -11.8 | -10.7 | -11.9 | -12.1 | -10 | -7.7 | -8.8 | -9.7 | -8.9 | -9.1 | -10.6 | -8.4 | -10.7 | -9.7 | -9.6 | -10.7 | -10.2 | -10.9 | -10.5 | -8.2 | -8.8 | -9.5 | -10.5 | -6.7 | -9.9 | -10 | -9 | -9.4 | -8.9 | -9.9 | -9.3 | -11.5 | -11.4 | -8.6 | -10.1 | -10.5 | -9.4 | -10.3 | -12.4 | -8.4 | -9.6 | -10.6 | -10.7 | -10.7 | -10.2 | -12 | -10.4 | -10 | -9.8 | -10.4 | -9.7 | -8.7 | -10.7 | -9.1 | -10.2 | -9.7 | -10.3 | 0.529894 |
MJFGMXBDERWAFS-UHFFFAOYNA-N
|
S(C1=CC=C(C2C3C(N(C(=N)C2C#N)C4=CC=CC=C4)=CCCC3=O)C=C1)C
| -8 | -6.9 | -7.1 | -7.2 | -8.7 | -7.9 | -4.9 | -7.2 | -8.4 | -7 | -7 | -7.3 | -7.4 | -8.3 | -7 | -5.8 | -8 | -7.5 | -9.3 | -6.9 | -5.5 | -7.2 | -8.2 | -8.4 | -6.1 | -6.1 | -7.1 | -6.9 | -6.5 | -6.3 | -7 | -7.3 | -6.2 | -7.4 | -6.5 | -6.2 | -7.4 | -7.9 | -6.6 | -9.7 | -6.8 | -7.7 | -8.7 | -10 | -7.4 | -7.9 | -8.2 | -8.5 | -7.5 | -8.3 | -8 | -6.8 | -8.1 | -8.2 | -7.9 | -5.5 | -8.2 | -7 | 0.753321 |
HDGOXKZWMUEJFP-UHFFFAOYNA-N
|
FC1=CC=C(N2CCN(CC2)C3=CC=C(C=C3)C#N)C=C1
| -8.5 | -8.7 | -8.3 | -8.3 | -8.8 | -8.1 | -8.6 | -7 | -7.9 | -7.1 | -7.4 | -8.8 | -7 | -9.3 | -7.5 | -7.2 | -8.1 | -7.8 | -8.5 | -9.3 | -8 | -7.2 | -7.8 | -8.1 | -7.3 | -7.8 | -8.2 | -6.9 | -8.9 | -7.5 | -8 | -7.7 | -7.7 | -8.7 | -7 | -7.9 | -7.6 | -7.2 | -8.1 | -7.9 | -6.4 | -7.2 | -8.8 | -8 | -8.6 | -8.4 | -9.5 | -8.3 | -8.1 | -7.2 | -8.3 | -7.4 | -7.8 | -8.6 | -7.3 | -9.5 | -7.1 | -7.6 | 0.84735 |
VPDRTZCIBNYZIN-HVXXBKQBNA-N
|
ClC=1C=C(C=2ON=C(N2)C=3C=CC(=CC3)C(=O)N)C=CC1
| -9.4 | -10.4 | -9.3 | -9.6 | -9.7 | -8.7 | -10 | -7.8 | -8.7 | -8 | -8.4 | -9.6 | -7.9 | -10.5 | -9.1 | -8.7 | -8.7 | -8.6 | -9.3 | -10.5 | -9 | -8.2 | -8.3 | -8.4 | -7.8 | -8.5 | -9.5 | -7.8 | -9.3 | -8.4 | -9 | -8.6 | -9.2 | -10.2 | -9 | -9 | -8.6 | -8.5 | -9 | -9 | -7.3 | -8.2 | -9.6 | -8.8 | -9.4 | -9.6 | -9.8 | -9.2 | -9.2 | -8.1 | -9.3 | -8.7 | -8.3 | -9.7 | -8.7 | -10.4 | -8.3 | -9.8 | 0.805067 |
SQTBQJAJVUXULL-FRKPEAEDNA-N
|
O1C(C=2C(N(=O)=O)=CC=CC2)=CC=C1/C=N/N3C=NN=C3
| -8.8 | -8.7 | -8.7 | -9.4 | -8.6 | -7.9 | -8.5 | -7.6 | -8.3 | -7.3 | -7.5 | -7.6 | -7.3 | -8.3 | -7.3 | -7.6 | -7.6 | -7.8 | -8.9 | -9.7 | -7.9 | -7.5 | -7.8 | -8.2 | -8 | -7.9 | -8.3 | -7.8 | -8.3 | -7.3 | -8.3 | -7 | -7.9 | -8.7 | -8.7 | -8.1 | -7.8 | -7.8 | -8.3 | -8.7 | -6.7 | -7.2 | -8 | -8 | -8.2 | -8.6 | -8.3 | -8 | -8.7 | -7.8 | -8.4 | -8.1 | -7.8 | -8 | -7.5 | -9.7 | -7.7 | -8.3 | 0.415351 |
LLVSPWROAHJBTD-XNTDXEJSNA-N
|
S(=O)(=O)(N1CCC(CC1)C(=O)N(C2=CC=C(OCC)C=C2)C)C=3C(=NOC3/C=C/C4=CC=C(C=C4)C)C
| -9.3 | -8.6 | -9.2 | -11.2 | -11.4 | -8.6 | -2.8 | -8.8 | -9.4 | -8 | -9.9 | -9.7 | -7.3 | -10.4 | -9.5 | -9.6 | -10.2 | -10.7 | -9.7 | -11.2 | -8 | -8.5 | -10.2 | -10.3 | -6.9 | -9.9 | -9.5 | -8.2 | -7.1 | -9.4 | -9.3 | -8.8 | -8.6 | -9.7 | -8.1 | -9 | -8.3 | -9.4 | -10.6 | -9.9 | -8.2 | -8.7 | -11.3 | -11 | -9.8 | -9.7 | -11.1 | -9.8 | -9.6 | -10 | -10.8 | -9.3 | -8.6 | -10 | -8.9 | -6.9 | -9.3 | -9.1 | 0.415958 |
MDBTVZZZZDKCBV-UHFFFAOYNA-N
|
S(=O)(=O)(NCC=1N=C(SC1)C=2SC=CC2)C3=CC=C(C=C3)C
| -8.6 | -8.4 | -8.4 | -9.3 | -8.5 | -8 | -7.9 | -7 | -8.2 | -7 | -7 | -7.6 | -6.6 | -8.4 | -7.3 | -7.3 | -8 | -7.7 | -8.1 | -9.1 | -7.9 | -6.6 | -7.4 | -8.3 | -7.2 | -7.8 | -7.7 | -7.5 | -8.5 | -7.2 | -8 | -7.3 | -8.3 | -8.8 | -7.6 | -8.2 | -8 | -7.4 | -8 | -9.6 | -6.4 | -7.5 | -8.2 | -8.5 | -8.8 | -8.6 | -9 | -8.3 | -8.5 | -8.3 | -8.4 | -8.2 | -7.4 | -8.5 | -7.6 | -8.9 | -7.9 | -8.3 | 0.763827 |
LKFPNJNXKPRCKW-HXTKINSTNA-N
|
S1C=2C(N(C=3C1=CC=CC3)C(=O)CSC=4N(C(=NN4)CNC(=O)C=5OC=CC5)CC=C)=CC=CC2
| -9.6 | -8.7 | -8.8 | -10.2 | -10 | -9.1 | -6.1 | -8.5 | -9.6 | -8.2 | -8.8 | -8.6 | -8.4 | -10.3 | -8.5 | -8.8 | -10.2 | -9.6 | -10.4 | -9.9 | -7.5 | -8.1 | -8.6 | -9.8 | -7 | -10.1 | -8.9 | -8.4 | -9.7 | -9.4 | -9.1 | -8.3 | -9.1 | -9.7 | -8.7 | -9.8 | -9.8 | -9.1 | -8.8 | -10.3 | -7.5 | -8.2 | -10.7 | -10.5 | -8.7 | -9.8 | -11.2 | -9.6 | -9.5 | -9.8 | -10.4 | -10 | -8.4 | -9 | -8 | -8.6 | -9.2 | -8.4 | 0.269758 |
XHJCGKGBOXIPKJ-UHFFFAOYNA-N
|
ClC1=CC=2C=C(OC2C=C1)C=3N(C(SCC(=O)N4CCN(CC4)C5=CC=CC=C5)=NN3)CC
| -9.9 | -9.8 | -9.9 | -9.3 | -10.4 | -9.4 | -6.4 | -7.8 | -8.5 | -7.4 | -9.1 | -9.9 | -8.6 | -9.2 | -9.5 | -8.9 | -10.1 | -9.9 | -10.1 | -10.3 | -7.8 | -8.1 | -10 | -10.8 | -6.7 | -9.2 | -10.4 | -8.7 | -9 | -8.5 | -8.9 | -8.1 | -9.3 | -10.8 | -8.9 | -10.6 | -9.1 | -9.3 | -9.7 | -9.2 | -7.1 | -8.7 | -9.8 | -10.4 | -9.9 | -9.5 | -10.6 | -10.4 | -9.9 | -10.8 | -9.9 | -9.7 | -8.8 | -9.2 | -8.4 | -9 | -8.8 | -9.7 | 0.368203 |
JATJYAUJWXKICU-ROUYVKNBNA-N
|
S1C(C2NC(=S)N=C(C2C(=O)NC)C)=CC=C1
| -6 | -6.6 | -6.7 | -6.9 | -6.2 | -6.3 | -4.5 | -5.3 | -7 | -6.6 | -6.6 | -5.5 | -6.1 | -6.1 | -5.4 | -5.9 | -6.3 | -6.3 | -6.6 | -6.8 | -6.9 | -4.6 | -6.2 | -6.3 | -5.8 | -6.8 | -6.8 | -6.8 | -6.5 | -6.2 | -6.2 | -5.7 | -6.1 | -7.2 | -6.8 | -6.2 | -5.7 | -5.4 | -7.3 | -7.8 | -5.2 | -5.9 | -6.4 | -6.5 | -6.4 | -6 | -6.1 | -6 | -6.1 | -5.7 | -6.6 | -7.3 | -5.8 | -6.2 | -6.3 | -6 | -5.9 | -4.9 | 0.798502 |
NWDPRYSTWUCESD-LILDFLRNNA-N
|
BrC=1C=CC(NC(=O)CCN(CC2=CC=CC=C2)C)=CC1
| -8.1 | -8.5 | -7.8 | -8.5 | -8.5 | -7.3 | -8.7 | -6.4 | -8.2 | -7.7 | -7.2 | -7.8 | -6.4 | -8 | -7.1 | -7 | -8.3 | -8 | -7.3 | -9 | -7.8 | -6.7 | -7.4 | -7.7 | -7 | -7.4 | -7.9 | -7.4 | -8.1 | -6.6 | -7.4 | -6.5 | -8.1 | -8.5 | -8.2 | -7.6 | -7.9 | -7.2 | -7.7 | -9.2 | -5.8 | -7 | -7.9 | -7.8 | -7.8 | -7.9 | -8.8 | -8.1 | -8.4 | -7.4 | -8.1 | -7.9 | -6.9 | -7.5 | -6.8 | -9 | -6.8 | -8.4 | 0.859355 |
WYGGYBKUIFMDCR-UHFFFAOYNA-N
|
S1C(=NN2C1=NC(CC2=O)=COC(=O)C3=CC=4OCOC4C=C3)CCCC
| -9 | -9.1 | -9.1 | -9.7 | -9.8 | -8.3 | -9.1 | -7.8 | -9.3 | -7.7 | -7.9 | -8.1 | -7.5 | -9.1 | -8.5 | -8.2 | -8.8 | -8.4 | -9.4 | -10 | -7.9 | -8.4 | -8.3 | -9.2 | -6.2 | -8.4 | -8.6 | -7.3 | -9.5 | -8.3 | -8.6 | -8.2 | -8.9 | -9.8 | -9.4 | -9.7 | -8.7 | -8 | -8.7 | -10.3 | -7.6 | -8.1 | -9.6 | -9 | -8.9 | -8.6 | -10.4 | -9.1 | -9.2 | -9.3 | -9.2 | -9 | -7.5 | -9 | -7.8 | -9.9 | -8.8 | -9.7 | 0.56905 |
IJCPWSKVADGVBC-YAQRNVERNA-N
|
ClC1=C(C=C(NC(OCCCC)=O)C(OC)=C1)C
| -7.2 | -7.5 | -6.9 | -7.3 | -6.8 | -7 | -8.1 | -5.5 | -7.1 | -6.8 | -6.3 | -5.9 | -6.2 | -8.2 | -6.5 | -6.2 | -6.4 | -6.8 | -6.5 | -7.2 | -7.1 | -5.9 | -6.7 | -6.5 | -6.7 | -6.7 | -7.4 | -6.7 | -6.7 | -6.9 | -6.6 | -6.3 | -6.7 | -7.2 | -7.5 | -6.8 | -6.5 | -6.4 | -7.2 | -8.2 | -5.5 | -5.9 | -7 | -6.6 | -7 | -6.8 | -6.9 | -6.7 | -7 | -6.7 | -7.4 | -6.9 | -6.4 | -6.8 | -6.2 | -7.3 | -6.4 | -6.5 | 0.823441 |
NEJHSZBHFANDPO-MCMWGBKZNA-N
|
ClC1=CC(NC(=O)/C=C/C=2OC=CC2)=C(C=C1)C(=O)O
| -8.7 | -9.1 | -7.8 | -8.5 | -8.1 | -8.1 | -8.5 | -6.5 | -8 | -7.2 | -7.2 | -7.6 | -7.3 | -8.5 | -7.5 | -7.1 | -8.4 | -8 | -7.9 | -8.2 | -7.9 | -6.6 | -7.2 | -7.3 | -6.8 | -7.4 | -7.7 | -7.1 | -7.9 | -7.6 | -7.9 | -7.5 | -7.1 | -8.3 | -8.9 | -7.9 | -7.6 | -6.8 | -7.5 | -8.8 | -7.1 | -7 | -7.8 | -7.6 | -7.9 | -8.5 | -8.9 | -7.8 | -8 | -7.1 | -8.3 | -7.6 | -7.7 | -8.1 | -7.6 | -8.6 | -7.5 | -8.2 | 0.847237 |
KJCWKGGMKKAAJS-UHFFFAOYNA-N
|
FC1=CC=C(C2(O)CC3N(C(C2)CC3)CC(=O)N4CC(CCC4)C)C=C1
| -7.8 | -9.2 | -9 | -8.8 | -9.8 | -8.4 | -5.5 | -7.7 | -10.5 | -8.3 | -8.6 | -7.9 | -7.3 | -8.3 | -8.4 | -8.6 | -8.8 | -8.4 | -9.7 | -10 | -8 | -7.3 | -9 | -9.3 | -6.7 | -8.6 | -9.6 | -8.2 | -9.6 | -8.2 | -8.4 | -8 | -8.6 | -9.5 | -9.3 | -8.3 | -8 | -8.4 | -8.7 | -8.2 | -7.3 | -8.5 | -9.8 | -9.7 | -10.6 | -8.4 | -8.7 | -10.6 | -8.6 | -8.4 | -9.7 | -8 | -8.7 | -8.7 | -8.2 | -10.3 | -8.4 | -8.9 | 0.901396 |
KMYMCJIUHIGRCC-YZQZKRRUNA-N
|
OC1=NC(N/N=C(/C2CC2)\C)=NC(=C1)C
| -6.9 | -7.8 | -7.6 | -7.5 | -7.3 | -6.5 | -7.2 | -5.9 | -7 | -6.7 | -6.7 | -7.6 | -6.6 | -7.4 | -6.6 | -6.3 | -6.9 | -6.9 | -6.8 | -8.1 | -6.9 | -6.3 | -6 | -7.1 | -6.8 | -6.7 | -7.3 | -7 | -7 | -6.8 | -6.6 | -6.8 | -6.9 | -8 | -7.4 | -6.6 | -7 | -6.3 | -7.5 | -7.7 | -5.7 | -6.4 | -6.7 | -7 | -7.3 | -6.3 | -6.6 | -7.1 | -7.3 | -6.4 | -7.2 | -6.9 | -6.4 | -7.1 | -6.9 | -7.2 | -6.5 | -6.8 | 0.582852 |
JWKIRQKFOZBGAU-UHFFFAOYNA-N
|
ClC=1N=C(N=C2C3=C(C=4CCCC4N=C3SC21)C5=CC=C(OC)C=C5)C
| -8.6 | -8.2 | -7.7 | -9 | -8.7 | -8.3 | -5.4 | -7.4 | -9.2 | -8.8 | -6.5 | -7.4 | -7.7 | -8.9 | -7.3 | -8.9 | -8.6 | -7.8 | -9.4 | -11.3 | -6.1 | -7.1 | -8.4 | -9.6 | -6.3 | -8.6 | -9 | -7.2 | -6.5 | -8.8 | -9.7 | -8.7 | -7.6 | -8.2 | -8.6 | -6.1 | -7.4 | -8.2 | -11 | -9.3 | -7.3 | -7 | -8.4 | -9.6 | -6.7 | -8.6 | -8.8 | -8.2 | -8.9 | -8 | -8.9 | -8.8 | -7.3 | -8.6 | -8.5 | -6.8 | -7.5 | -6.4 | 0.438037 |
UKQCJCWLKWRFFI-UHFFFAOYNA-N
|
O=C(C(C1=CC=CC=C1)C2=CC=CC=C2)C=3C=CC=CC3
| -10.4 | -7.5 | -7.6 | -8.7 | -9.3 | -8.2 | -7.2 | -7.1 | -10.1 | -9 | -9.3 | -7.6 | -7.3 | -10.1 | -7.8 | -7.4 | -7.6 | -8.2 | -9.1 | -9.8 | -9 | -7.1 | -8.4 | -8.6 | -8.4 | -8.5 | -9.4 | -9.6 | -8.7 | -8.4 | -8.2 | -8.4 | -7.7 | -8.1 | -10.3 | -8 | -8.4 | -8.5 | -10.5 | -10.9 | -7.2 | -7.1 | -9.3 | -9.6 | -9.7 | -8.6 | -8.9 | -8.1 | -8.8 | -7.8 | -8.5 | -8.9 | -8.3 | -9.1 | -8.9 | -9.7 | -7.7 | -8.2 | 0.629006 |
OVVNEEYCPYTNEM-LNNLXFCONA-N
|
S1C=2C=3C(OCC2C=C1C(=O)NC4=C(N5CCN(CC5)C)C=CC=C4)=CC=CC3C
| -9.5 | -9.1 | -9.1 | -10.7 | -9.9 | -9.7 | -6.3 | -8.4 | -10.2 | -8.1 | -9.4 | -7.8 | -8.7 | -9.8 | -9 | -9.9 | -9.4 | -8.5 | -11.6 | -9.9 | -7 | -8.2 | -9.3 | -10.1 | -6.8 | -9.9 | -9.1 | -8.7 | -9.4 | -8.7 | -9.8 | -8.6 | -9.2 | -10 | -8.2 | -8.7 | -9.2 | -9.8 | -10.4 | -10.3 | -8.2 | -8.4 | -9.8 | -10.4 | -7.7 | -9.5 | -10.4 | -9.3 | -9.9 | -8.2 | -10 | -10.2 | -8 | -9.5 | -8.7 | -6.8 | -8.6 | -10.4 | 0.672875 |
COJBDXOVODWPAE-UHFFFAOYNA-N
|
S1C2=C(CCCC2)C3=C1N=CN=C3SCC4=CC=C(F)C=C4
| -9.1 | -9.1 | -9.4 | -9.3 | -9.2 | -8 | -8.8 | -6.7 | -9.7 | -8.4 | -8.8 | -7.5 | -7.2 | -9.8 | -8.3 | -8 | -8 | -8.5 | -9 | -9.8 | -8.7 | -6.8 | -8.2 | -8.3 | -8.4 | -8.8 | -9.1 | -8 | -8.8 | -8.7 | -8.8 | -8.4 | -8.3 | -8.9 | -9.6 | -8 | -7.9 | -8.1 | -9.1 | -10.8 | -7.3 | -7.8 | -8.3 | -9.4 | -8.8 | -8.4 | -8.7 | -8.5 | -9.3 | -7.9 | -8.8 | -9.1 | -8.3 | -8.8 | -7.8 | -9.3 | -8.1 | -8.7 | 0.499004 |
VGAACVRLOKAHOO-WELJNPPONA-N
|
O=C1C[C@]2(C3[C@](N([C@@H](CC2)C=4C3=CC=CC4)C(OC)=O)(C1)C)C
| -8.9 | -8.7 | -6.2 | -8.3 | -8.3 | -7.4 | -5.1 | -7.8 | -9.3 | -8.5 | -6.6 | -7.7 | -6.7 | -6.7 | -6.3 | -6.2 | -8.7 | -7.3 | -8.9 | -8.3 | -8.4 | -6.2 | -8 | -8.2 | -7 | -7.3 | -7.6 | -10.1 | -7.8 | -6.7 | -7.6 | -8.1 | -7.4 | -6.9 | -6.7 | -7.1 | -7 | -7.9 | -7.5 | -8.1 | -6.9 | -6.9 | -9.6 | -9.5 | -9.6 | -8.1 | -7.1 | -8.5 | -7.4 | -6.8 | -9.2 | -6.5 | -8.8 | -8 | -8.2 | -6.8 | -7.2 | -6.7 | 0.731365 |
ZWOOOMQPBDKRQE-UHFFFAOYNA-N
|
O=C(N1C(N2C(=NC=3C2=CC=CC3)C4=C1C=CC=C4)C)C
| -8.5 | -8.7 | -7.6 | -10.4 | -9.1 | -8.5 | -6.1 | -7.5 | -10.2 | -9 | -8.8 | -7 | -7.9 | -8.4 | -7.8 | -8.2 | -8.8 | -7.4 | -9.1 | -10.1 | -9.8 | -6.7 | -9.2 | -9 | -7.1 | -9.1 | -10.1 | -7.3 | -8.5 | -8.6 | -8.9 | -8.7 | -7.6 | -8 | -9.2 | -10.6 | -8.3 | -8.3 | -9.9 | -11.2 | -7.2 | -8.2 | -9.8 | -10.1 | -9.5 | -8.1 | -8.8 | -8.3 | -8.9 | -7.6 | -9.5 | -9.6 | -8 | -9.2 | -8.8 | -8.7 | -8.7 | -6.6 | 0.629541 |
ZVRYYGCNSCCYRM-QWOVJGMINA-N
|
S(CC(=O)NC=1C=CC(OCC)=CC1)C=2OC(=NN2)COC3=C(C=CC=C3C)C
| -8.1 | -8.9 | -8.4 | -9.3 | -9.1 | -8.3 | -6.9 | -7.3 | -8.7 | -7.4 | -8.1 | -8.3 | -7.4 | -8.4 | -8.1 | -7.6 | -9.2 | -8.8 | -9 | -9.4 | -8.2 | -7.9 | -8.3 | -9.3 | -7.1 | -7.8 | -8.4 | -7.7 | -9 | -7.2 | -7.6 | -8.2 | -9.3 | -8.9 | -8.3 | -8.9 | -8.6 | -8.1 | -8.2 | -10.4 | -6.8 | -7.7 | -9 | -8.6 | -9 | -8.3 | -9.4 | -8.5 | -7.8 | -8.7 | -8.3 | -8.8 | -6.8 | -8.4 | -9 | -9.1 | -8 | -9.4 | 0.520512 |
HXJLQFPFMYJEFO-UHFFFAOYNA-N
|
S1C(N2CCN(CC2)C(=O)C=3C=CC=CC3)=NC(=C1)C4=CC=C(OC)C=C4
| -9.4 | -9.9 | -9.2 | -9.4 | -9.6 | -7.9 | -5.4 | -8.3 | -9.1 | -7.6 | -8 | -8 | -7.2 | -8.8 | -8.5 | -8 | -9.8 | -8.8 | -10.6 | -9.9 | -6.9 | -7.8 | -9.3 | -9.9 | -6 | -8.4 | -8.8 | -8 | -6 | -8.1 | -8 | -8.4 | -8.9 | -9.4 | -7.5 | -8.4 | -8.2 | -8.5 | -9.6 | -9.3 | -7.2 | -7.9 | -10 | -9.6 | -7.9 | -8.7 | -8.9 | -8.8 | -8.3 | -8 | -9.1 | -9.1 | -8.3 | -9.5 | -8.3 | -6.5 | -8.1 | -8 | 0.692063 |
SPNJBMMPFIYEGF-LELJVTLKNA-N
|
S(C=1N(C(C2=CC=CC=C2)=CN1)C(=O)C=3C=CC=CC3)CC(=O)NC=4C=CC(=CC4)C
| -9.5 | -8.7 | -8.6 | -9.4 | -9.9 | -7.8 | -6.3 | -7.1 | -10.6 | -8.1 | -8.2 | -9 | -8 | -9.2 | -8.4 | -7.7 | -10 | -9.3 | -8.8 | -9.2 | -8.3 | -8.1 | -8.8 | -9.3 | -6.8 | -9.4 | -8.8 | -8.3 | -9.3 | -8.5 | -8.5 | -7.9 | -9.4 | -9.8 | -7.9 | -9.4 | -7.7 | -8.6 | -10.4 | -10.7 | -6.7 | -8.1 | -10 | -10 | -8.9 | -8.9 | -10.2 | -10.4 | -8.3 | -9.3 | -9.9 | -8.6 | -7.9 | -9.9 | -7.8 | -9.7 | -8.6 | -9.7 | 0.425466 |
CQQDLKUKLDQNJB-GPQMBLKYNA-N
|
ClC1=CC(=C(OCCCC(=O)NCC=2SC=CC2)C=C1)C
| -7.7 | -8.5 | -7.6 | -8.2 | -8.2 | -6.7 | -8.4 | -6.3 | -7.6 | -7.1 | -6.9 | -8.3 | -6.9 | -7.6 | -7.1 | -6.7 | -7.5 | -7.2 | -7.4 | -8.5 | -7.4 | -6.6 | -6.6 | -7.5 | -6.8 | -7.1 | -7.6 | -6.6 | -7.9 | -7 | -7 | -6.7 | -8.4 | -7.9 | -8.3 | -7.2 | -7 | -6.7 | -7.4 | -8.9 | -5.5 | -6.3 | -7.1 | -7.4 | -7.6 | -7 | -8 | -7.8 | -7.7 | -8 | -7 | -7.4 | -6.8 | -7.2 | -6.4 | -8.4 | -7 | -8 | 0.775994 |
XPBVRXJQAWEXKY-QWOVJGMINA-N
|
ClC=1C=C(C2=NNC(=C2)C(=O)N=C3C(OC)C=CC(OC)=C3)C(O)=CC1
| -8.6 | -9.5 | -9.8 | -9.2 | -9.6 | -8.1 | -8.2 | -7.3 | -8.9 | -7.8 | -8.2 | -8.1 | -7.2 | -8.2 | -8.4 | -8.3 | -8.5 | -7.9 | -9.2 | -10 | -7.7 | -7.1 | -7.9 | -8.6 | -6.7 | -8.4 | -9.1 | -8.3 | -8.4 | -7.4 | -8.6 | -7.6 | -8.7 | -8.8 | -7.2 | -8.1 | -7.9 | -7.6 | -8.5 | -9.8 | -7.1 | -7.7 | -8.7 | -8.9 | -9 | -8.3 | -8.3 | -9.1 | -8.5 | -8.8 | -9.1 | -9 | -8.8 | -8.9 | -8 | -9.3 | -8.5 | -9.4 | 0.857708 |
CNYKJXGSODVKNX-HPRFPMAVNA-N
|
S(=O)(=O)(NC=1SC=CN1)C=2C=CC(NC(=O)C3=NN(C=4C=C(C=CC4)C)C=CC3=O)=CC2
| -10.4 | -10.9 | -10.2 | -11.3 | -10.9 | -9.7 | -4.2 | -8.4 | -9.4 | -9 | -9.8 | -9.9 | -8.5 | -9.9 | -9.4 | -9.9 | -10.2 | -9.8 | -10.4 | -11.1 | -7.6 | -9.8 | -9.3 | -9.4 | -7.1 | -9.9 | -10 | -9.4 | -10 | -9.4 | -9.4 | -9.3 | -9.7 | -10.8 | -9.1 | -10.8 | -9.4 | -9.3 | -10.4 | -11.6 | -8 | -8.5 | -11 | -10.7 | -9.7 | -10.1 | -10.4 | -10.1 | -10.3 | -9.4 | -10.1 | -10 | -9 | -9.9 | -9.2 | -8 | -9.6 | -9.8 | 0.449303 |
JNJMASZVYJEARC-VEWCPZSHNA-N
|
ClC=1C=C(NC(=O)C(=O)NC2CCCCCC2)C(OC)=CC1
| -8.1 | -9.1 | -8.7 | -8.5 | -9.1 | -7.7 | -8.7 | -6.6 | -8.3 | -7.3 | -7.2 | -7.5 | -6.9 | -7.6 | -7.6 | -7.4 | -8.9 | -8.3 | -8.2 | -8.7 | -7.6 | -7.1 | -8 | -8.3 | -7.2 | -7.7 | -8.3 | -7.5 | -8.6 | -7.9 | -7.7 | -7.5 | -8.1 | -7.7 | -7.9 | -7.7 | -7.7 | -7 | -8 | -8.9 | -6.6 | -7.6 | -8.4 | -9 | -8.4 | -7.8 | -8.3 | -8.4 | -8.5 | -7.3 | -9 | -8.1 | -7.6 | -8.4 | -7.5 | -8.8 | -7 | -8.2 | 0.662786 |
WYCZMZYMKPHZIA-UYBDAZJANA-N
|
S(=O)(=O)(NCCC(=O)NCCCSC1=CC=CC=C1)C2=CC=C(C=C2)C
| -8.4 | -7.1 | -8 | -8.6 | -8.4 | -8.2 | -7.9 | -6 | -8.8 | -6.8 | -7.5 | -6.9 | -6 | -8.7 | -7.3 | -7 | -8.7 | -8.6 | -7.5 | -8.7 | -8 | -6.4 | -8.1 | -8.3 | -8.1 | -7.2 | -7.5 | -7.7 | -8.5 | -7.5 | -7.4 | -6.6 | -9.1 | -8.3 | -8.8 | -8.4 | -7.9 | -7.3 | -7.9 | -9.5 | -6.5 | -7.1 | -8.2 | -8.6 | -8.7 | -7.6 | -8.7 | -8.8 | -7.8 | -8.4 | -8.1 | -7.6 | -6.7 | -8.2 | -6.6 | -8.8 | -7.9 | -8.2 | 0.481477 |
IHMBZGITVSJHIL-UHFFFAOYNA-N
|
ClC=1C(NC(O)C2=CN(C(O)=C2)C3=CC=CC=C3)=CC(Cl)=CC1
| -9.1 | -9.8 | -9 | -9.1 | -9.2 | -8.1 | -10.2 | -7.1 | -9.4 | -8.3 | -8.4 | -8.9 | -7.5 | -9.7 | -8.7 | -7.9 | -8.3 | -8.7 | -9 | -9.9 | -9 | -7.6 | -8.6 | -8.5 | -8.4 | -8.4 | -8.5 | -8 | -9.3 | -8.5 | -8.7 | -8.1 | -7.9 | -9.1 | -8.1 | -8.7 | -8.4 | -7.8 | -8.9 | -10.3 | -7.1 | -7.3 | -9 | -8.5 | -9.2 | -9.2 | -9.1 | -8.9 | -9.2 | -8.3 | -8.7 | -8.6 | -8.1 | -8.8 | -8.5 | -9.7 | -8.4 | -9.5 | 0.603921 |
GEDMFGNDCUYCGJ-LQFNOIFHNA-N
|
S1C2=NC(=C(C(=C2C=3N=NN=C(O)C13)C4=CC=C(OC)C=C4)C(=O)C)C
| -7.9 | -7.9 | -8.2 | -8 | -8.3 | -7.9 | -5.9 | -7.7 | -8.7 | -8 | -6.1 | -8.4 | -8.5 | -8.1 | -6.1 | -8.4 | -8.8 | -7.4 | -10 | -10.4 | -6 | -7.2 | -7.7 | -8.9 | -6 | -7.7 | -8.1 | -6.7 | -6.3 | -7.9 | -8.9 | -8.2 | -8 | -7.9 | -7.2 | -6.1 | -7.3 | -7.5 | -10.1 | -9.5 | -6.8 | -6.6 | -7.1 | -8.4 | -7.3 | -7.6 | -8.6 | -8 | -8.5 | -6.9 | -8.1 | -8.1 | -7.3 | -8.6 | -8.9 | -5.6 | -7.8 | -6.6 | 0.553861 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.