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* SYNTHETIC ACCESSBILITY V1.0 *
* 2015/01/16 *
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INFORMATION>
1) QUERY MOLECULE : 0_input.mol2
2) SUBSTRUCTURE DB : C:\Program Files\FiatLux\Easy myPresto 2\myPresto\SyntheticAccessibility\sampleDB\atom_4.db
3) VERBOSE MODE : F
4) ATOM-BASE COEFFICIENT : -2.96250004E-02
5) BOND-BASE COEFFICIENT : 0.00000000
6) CHIRALITY COEFFICIENT : 0.258560002 
7) IDENTITY COEFFICIENT : 3.52700017E-02
8) GRAPH COEFFICIENT : -1.65660004E-03
INFORMATION> INPUT SUBSTRUCTURE DB
input DB version : composability substructure DB: ver 1.0
DB FILE :C:\Program Files\FiatLux\Easy myPresto 2\myPresto\SyntheticAccessibility\sampleDB\atom_4.db
LEVEL : 4
BASE : ATOM BASE
MOLECULES: 100000
INFORMATION> COMPOSABILITY RESULTS
INFORMATION> COMPOSABILITY WITH GRAPH COMPLEXITY
(1) NUMBER OF ATOM TYPES : 3
(2) ATOM TYPE HISTGRAM :
C.2 4
C.3 6
H 16
(3) NUMBER OF TRIPLET BONDS : 9
(4) BOND TRIPLET HISTGTRAM :
C.2 - C.2 - C.2 2
C.2 - C.2 - C.3 6
C.2 - C.2 - H 2
C.2 - C.3 - C.3 2
C.2 - C.3 - H 10
C.3 - C.2 - H 2
C.3 - C.3 - C.3 2
C.3 - C.3 - H 12
H - C.3 - H 10
IDENTITY 4 -> 3
IDENTITY 5 -> 3
IDENTITY 9 -> 3
IDENTITY 10 -> 3
IDENTITY 13 -> 3
IDENTITY 14 -> 3
IDENTITY 16 -> 7
IDENTITY 17 -> 2
IDENTITY 18 -> 3
IDENTITY 19 -> 3
IDENTITY 20 -> 3
IDENTITY 22 -> 3
IDENTITY 23 -> 3
IDENTITY 25 -> 3
IDENTITY 26 -> 3
(5) NUMBER OF CHIRAL CENTER ATOMS (Nchiral) : 0.0000
(6) NUMBER OF IDENTICAL ATOMS (Ssym) : 18.0000
(7) Fragment frequency (Sprob) : -70.0000
(8) GRAPH COMPLEXITY (Sgraph-comp) : 435.8902
@ SyntheticAccessibility = 1.987
# output.mol2 MULT 9.9999999999999935E-071
# output.mol2 LOG -70.000000000000000 
# output.mol2 MIN 0.0000000000000000 
INFORMATION> DB READ TIME = 4.68000025E-02 s
INFORMATION> ESTIMATE TIME = 1.55999959E-02 s