path: root/tables/pa-table.csv

ID,Retronecine,Otonecine,Platynecine,N-oxide,Dehydropyrrolizidine,Tertiary PA,Macrocyclic-diester,Monoester,Diester,CID,SMILES,Canonical SMILES,Measured,lazar-MP2D,lazar-MP2D-high-confidence,lazar-CDK,lazar-CDK-high-confidence,0,F,R-DL,R-RF,R-SVM,TF-LR-sgd,TF-LR-scikit,TF-NN,TF-RF
1,1,0,0,0,0,1,1,0,0,9415,"C[C@H]1C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]1(C)O)(C)O","O=C1O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]([C@H]1C)(C)O)(C)O",,0,T,0,F,1,1,0,1,1,1,1
2,1,0,0,0,0,1,1,0,0,5281743,"C/C=C\1/C[C@H]([C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(CO)O)C","C/C=C\1/C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3",,1,T,0,F,1,1,0,1,1,1,1
3,1,0,0,0,0,1,0,1,0,73614,"C[C@@H]([C@](C(C)C)(C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)O)O)O","O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@]([C@@H](O)C)(C(C)C)O",,0,T,1,F,1,0,0,0,1,0,0
4,1,0,0,0,0,1,1,0,0,119040,"CC(C)[C@H]1C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]1(C)O)(C)O","CC([C@H]1C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]1(C)O)(C)O)C",,0,T,0,F,1,0,0,1,1,1,1
5,1,0,0,1,0,0,0,1,0,280564,"C[C@@H]([C@](C(C)C)(C(=O)OCC1=CC[N+]2([C@H]1[C@@H](CC2)O)[O-])O)O","O[C@@H]1CC[N+]2([C@@H]1C(=CC2)COC(=O)[C@]([C@@H](O)C)(C(C)C)O)[O-]",,0,F,0,F,1,0,0,0,0,0,0
6,1,0,0,0,0,1,1,0,0,5280906,"C/C=C\1/C[C@H]([C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)O)C","C/C=C\1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3",,0,T,0,F,1,0,0,1,1,1,1
7,1,0,0,0,0,1,1,0,0,5281733,"C/C=C/1\C[C@H]([C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)O)C","C/C=C/1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3",,0,T,0,F,1,0,0,1,1,1,1
8,1,0,0,1,0,0,1,0,0,5281734,"C/C=C\1/C[C@H]([C@@](C(=O)OCC2=CC[N+]3([C@H]2[C@@H](CC3)OC1=O)[O-])(CO)O)C","C/C=C\1/C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CC[N+]3([C@H]2[C@H](OC1=O)CC3)[O-]",,0,T,0,F,1,0,0,1,1,1,1
9,1,0,0,0,0,1,1,0,0,5281744,"C/C=C\1/CC(=C)[C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(CO)O","C/C=C\1/CC(=C)[C@](O)(CO)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3",,1,T,0,F,1,1,0,1,1,1,1
10,1,0,0,0,0,1,1,0,0,5281756,"C/C=C/1\C[C@H]([C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(CO)O)C","C/C=C/1\C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3",,1,T,0,F,1,1,0,1,1,1,1
11,1,0,0,1,0,0,1,0,0,5380876,"C/C=C\1/C[C@H]([C@@](C(=O)OCC2=CC[N+]3([C@H]2[C@@H](CC3)OC1=O)[O-])(C)O)C","C/C=C\1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N+]3([C@H]2[C@H](OC1=O)CC3)[O-]",,0,T,0,F,1,0,0,1,1,1,1
12,1,0,0,0,0,1,1,0,0,21606566,"C[C@H]1/C=C(\C(=O)O[C@@H]2CC[N+]3(C2(C(=CC3)COC(=O)[C@@]1(C)OC(=O)C)[O-])C)/C=C","C=C/C/1=C/[C@H](C)[C@](C)(OC(=O)C)C(=O)OCC2=CC[N+]3(C2([C@H](OC1=O)CC3)[O-])C",,1,T,0,F,1,0,0,1,1,1,0
13,1,0,0,0,0,1,0,0,1,613201,"CC=C(C)C(=O)OC1CCN2C1C(=CC2)COC(=O)C(C(C)OC)(C(C)(C)O)O","COC(C(C(O)(C)C)(C(=O)OCC1=CCN2C1C(CC2)OC(=O)C(=CC)C)O)C",,1,T,1,F,1,0,0,0,1,0,1
14,1,0,0,0,0,1,1,0,0,5281750,"C/C=C\1/CC(=C)[C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)O","C/C=C\1/CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3",,1,T,0,F,1,0,0,1,1,1,1
15,1,0,0,1,0,0,0,1,0,5355258,"C[C@H]([C@@](C(C)C)(C(=O)OCC1=CC[N+]2([C@H]1[C@H](CC2)O)[O-])O)OC","CO[C@@H]([C@](C(=O)OCC1=CC[N+]2([C@H]1[C@@H](O)CC2)[O-])(C(C)C)O)C",,0,F,0,F,1,0,0,0,0,0,0
16,1,0,0,0,0,1,0,1,0,9341,"CC(C)C(C(C)OC)(C(=O)OCC1=CCN2C1C(CC2)O)O","COC(C(C(=O)OCC1=CCN2C1C(O)CC2)(C(C)C)O)C",,0,T,0,F,1,0,0,0,1,0,0
17,1,0,0,0,0,1,0,0,0,10198,"C1CN2CC=C([C@@H]2[C@@H]1O)CO","OCC1=CCN2[C@H]1[C@H](O)CC2",0,0,F,0,F,1,0,1,1,1,0,0
18,1,0,0,0,0,1,1,0,0,577603,"CC1CC2(C(O2)C)C(=O)OC3CCN4C3C(=CC4)COC(=O)C1(C)O","O=C1OCC2=CCN3C2C(CC3)OC(=O)C2(CC(C1(C)O)C)OC2C",,0,T,0,F,1,0,0,1,1,1,1
19,1,0,0,0,0,1,1,0,0,99322,"C[C@H]([C@]1([C@@H]([C@H](C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC1=O)C(C)C)O)O)O","CC([C@H]1C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@@]([C@@H]1O)(O)[C@H](O)C)C",,0,T,0,F,1,0,0,1,1,1,1
20,1,0,0,0,0,1,1,0,0,185716,"CC[C@]1(C[C@H]([C@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)OC(=O)C)C)O","CC[C@@]1(O)C[C@@H](C)[C@](C)(OC(=O)C)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3",,0,F,0,F,1,0,0,1,1,1,0
21,1,0,0,0,0,1,1,0,0,442726,"C[C@@H]1C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC(=O)[C@@H]([C@@]1(C)O)C","O=C1O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@H]([C@]([C@H]1C)(C)O)C",,0,T,0,F,1,0,0,1,1,1,0
22,1,0,0,0,0,1,0,0,1,5281753,"C/C=C(/C)\C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@H](C)O)(C(C)C)O","C/C=C(\C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@@H](O)C)(C(C)C)O)/C",,0,T,0,F,1,0,0,0,1,0,0
23,1,0,0,0,0,1,0,0,1,5281754,"C/C=C(\C)/C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@H](C)O)(C(C)C)O","C/C=C(/C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@@H](O)C)(C(C)C)O)\C",,0,T,0,F,1,0,0,0,1,0,0
24,1,0,0,0,0,1,0,0,1,6269253,"C/C=C(\C)/C(=O)OC1CCN2C1C(=CC2)COC(=O)C3(C(C(=O)OC3C)C)O","C/C=C(/C(=O)OC1CCN2C1C(=CC2)COC(=O)C1(O)C(C)OC(=O)C1C)\C",,0,T,0,F,1,0,0,0,1,1,1
25,1,0,0,1,0,0,1,0,0,6440301,"C/C=C\1/CC(=C)[C@@](C(=O)OCC2=CC[N+]3([C@H]2[C@@H](CC3)OC1=O)[O-])(CO)O","C/C=C\1/CC(=C)[C@](O)(CO)C(=O)OCC2=CC[N+]3([C@H]2[C@H](OC1=O)CC3)[O-]",,0,T,0,F,1,0,0,1,1,1,1
26,1,0,0,0,0,1,1,0,0,6440889,"C/C=C/1\CC(C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(C)O)CO","C/C=C/1\CC(CO)C(C)(O)C(=O)OCC2=CCN3C2C(OC1=O)CC3",,1,T,0,F,1,1,0,1,1,1,1
27,1,0,0,0,0,1,1,0,0,6441178,"C[C@@H]1C/C(=C\CO)/C(=O)O[C@@H]2CC[N+]3([C@@]2(C(=CC3)COC(=O)[C@]1(C)O)O)C","OC/C=C/1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N+]3([C@]2([C@H](OC1=O)CC3)O)C",,1,T,0,F,1,0,0,1,1,1,1
28,1,0,0,0,0,1,1,0,0,12308873,"C/C=C\1/CC2(C(O2)(C(=O)OCC3=CCN4[C@H]3[C@@H](CC4)OC1=O)C)CO","C/C=C\1/CC2(CO)OC2(C)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3",,0,T,0,F,1,0,0,1,1,1,1
29,1,0,0,0,0,1,1,0,0,15120074,"C/C=C\1/CC(=C)[C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)OC(=O)C","C/C=C\1/CC(=C)[C@@](C)(OC(=O)C)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3",,1,T,0,F,1,0,0,1,1,1,0
30,1,0,0,0,0,1,1,0,0,15736564,"CC1C2(CC3(CO1)C(O3)(C(=O)OCC4=CCN5[C@H]4[C@@H](CC5)OC2=O)C)O","CC1OCC23CC1(O)C(=O)O[C@@H]1CCN4[C@@H]1C(=CC4)COC(=O)C3(O2)C",,0,T,0,F,1,0,0,1,1,1,1
31,1,0,0,0,0,1,1,0,0,76957522,"C/C=C\1/C[C@H]([C@@](C(=O)OCC2=CC[N@@+]3([C@]2([C@@H](CC3)OC1=O)O)C)(CO)O)C","C/C=C\1/C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CC[N@@+]3([C@]2([C@H](OC1=O)CC3)O)C",,0,T,0,F,1,0,0,1,1,1,1
32,1,0,0,0,0,1,0,1,0,98222,"CC(C(C(=O)OCC1=CCN2C1C(CC2)O)(C(C)(C)O)O)OC","COC(C(C(O)(C)C)(C(=O)OCC1=CCN2C1C(O)CC2)O)C",,1,T,1,F,1,0,0,1,1,0,0
33,1,0,0,1,0,0,1,0,0,197173,"CC1C(=O)OC2CC[N+]3(C2C(=CC3)COC(=O)C(C1(C)O)(C)O)[O-]","O=C1OC2CC[N+]3(C2C(=CC3)COC(=O)C(C(C1C)(C)O)(C)O)[O-]",,0,F,0,F,1,0,0,1,1,1,1
34,1,0,0,0,0,1,1,0,0,259727,"C[C@H]1C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@@]1(C)OC(=O)C)(C)O","CC(=O)O[C@@]1(C)[C@@H](C)C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]1(C)O",,0,T,1,F,1,0,0,1,1,1,0
35,1,0,0,0,0,1,1,0,0,268949,"C[C@H]1C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@@]1(C)OC(=O)C)(C)OC(=O)C","CC(=O)O[C@@]1(C)C(=O)OCC2=CCN3[C@H]2[C@H](OC(=O)[C@@H]([C@]1(C)OC(=O)C)C)CC3",,0,T,1,F,1,0,0,1,1,1,0
36,1,0,0,0,0,1,1,0,0,279070,"CC1C(=C)C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C14CO4)(C)O","O=C1OC2CCN3C2C(=CC3)COC(=O)C(C2(C(C1=C)C)OC2)(C)O",,0,T,0,F,1,0,0,1,1,1,1
37,1,0,0,1,0,0,0,1,0,323256,"CC(C(C(=O)OCC1=CC[N+]2(C1C(CC2)O)[O-])(C(C)(C)O)O)OC","COC(C(C(O)(C)C)(C(=O)OCC1=CC[N+]2(C1C(O)CC2)[O-])O)C",,0,F,0,F,1,0,0,0,1,0,0
38,1,0,0,1,0,0,0,1,0,333106,"CCC(C1=CC=CC=C1)(C(=O)OCC2=CC[N+]3(C2C(CC3)O)[O-])O","CCC(c1ccccc1)(C(=O)OCC1=CC[N+]2(C1C(O)CC2)[O-])O",,0,F,0,F,1,0,0,0,0,0,0
39,1,0,0,0,0,1,0,1,0,333468,"C1CN2CC=C([C@@H]2[C@@H]1O)COC(=O)CC3=CC=CC=C3","O=C(Cc1ccccc1)OCC1=CCN2[C@H]1[C@H](O)CC2",,0,T,0,F,1,0,0,0,0,0,0
40,1,0,0,0,0,1,0,1,0,333469,"CC(C)CC(=O)OCC1=CCN2[C@H]1[C@@H](CC2)O","CC(CC(=O)OCC1=CCN2[C@H]1[C@H](O)CC2)C",,0,T,0,F,1,0,0,0,0,0,0
41,1,0,0,1,0,0,0,1,0,340066,"C[C@H]([C@@](C(C)C)(C(=O)OCC1=CC[N+]2([C@H]1[C@@H](CC2)O)[O-])O)O","O[C@@H]1CC[N+]2([C@@H]1C(=CC2)COC(=O)[C@@]([C@H](O)C)(C(C)C)O)[O-]",,0,F,1,F,1,0,0,0,0,0,0
42,1,0,0,0,0,1,0,0,0,341142,"C1CN2CC=C3C2C1OCOC3","C1OCC2=CCN3C2C(O1)CC3",,0,F,0,F,1,0,1,0,0,0,0
43,1,0,0,1,0,0,0,0,1,357033,"CCC(C1=CC=C(C=C1)Cl)(C(=O)OCC2=CC[N+]3(C2[C@@H](CC3)OC(=O)NCC)[O-])O","CCNC(=O)O[C@@H]1CC[N+]2(C1C(=CC2)COC(=O)C(c1ccc(cc1)Cl)(CC)O)[O-]",,0,F,0,F,0,0,0,0,0,1,0
44,1,0,0,1,0,0,0,0,1,357034,"CCC(C1=CC=C(C=C1)Cl)(C(=O)OCC2=CC[N+]3(C2[C@@H](CC3)OC(=O)NC4=CC=CC=C4)[O-])O","CCC(c1ccc(cc1)Cl)(C(=O)OCC1=CC[N+]2(C1[C@@H](CC2)OC(=O)Nc1ccccc1)[O-])O",,0,F,0,F,0,0,0,0,0,1,0
45,1,0,0,0,0,1,0,0,1,5281729,"C/C=C(/C)\C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@H](C)O)(C(C)(C)O)O","C/C=C(\C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@](C(O)(C)C)([C@@H](O)C)O)/C",,0,T,0,F,1,0,0,0,1,0,1
46,1,0,0,1,0,0,0,0,1,5458800,"C/C=C(/C)\C(=O)O[C@H]1CC[N+]2([C@@H]1C(=CC2)COC(=O)[C@@]([C@H](C)OC)(C(C)(C)O)O)[O-]","CO[C@H]([C@@](C(O)(C)C)(C(=O)OCC1=CC[N+]2([C@H]1[C@H](CC2)OC(=O)/C(=C\C)/C)[O-])O)C",,0,T,1,F,1,0,0,0,1,0,1
47,1,0,0,0,0,1,1,0,0,6438237,"C/C=C/1\CC(=C)[C@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)O","C/C=C/1\CC(=C)[C@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3",,1,T,0,F,1,0,0,1,1,1,1
48,1,0,0,0,0,1,0,1,0,6440654,"C/C=C(\C)/C(=O)O[C@@H](C)[C@@](C(C)C)(C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)O)O","C/C=C(/C(=O)O[C@H]([C@](C(=O)OCC1=CCN2[C@H]1[C@H](O)CC2)(C(C)C)O)C)\C",,0,T,0,F,1,0,0,0,1,0,0
49,1,0,0,0,0,1,1,0,0,6604611,"C/C=C/1\C[C@@H]([C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(CO)O)C","C/C=C/1\C[C@H](C)[C@](O)(CO)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3",,1,T,0,F,1,1,0,1,1,1,1
50,1,0,0,0,0,1,1,0,0,10569934,"C[C@@H]1[C@H]([C@@]2(CC(=O)O[C@@H]3CCN4[C@@H]3C(=CC4)COC(=O)[C@]1(O2)C)C)O","O=C1O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]2(O[C@](C1)(C)[C@H](O)[C@H]2C)C",,0,F,0,F,1,0,0,1,1,1,0
51,1,0,0,0,0,1,0,1,0,21771304,"CC[C@](C1=CC=CC=C1)(C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)O)O","CC[C@](c1ccccc1)(C(=O)OCC1=CCN2[C@H]1[C@H](O)CC2)O",,0,F,0,F,1,0,0,0,0,0,0
52,1,0,0,0,0,1,0,0,1,44284782,"CCC(C1=CC=CC=C1)(C(=O)OCC2=CCN3[C@H]2[C@H](CC3)OC(=O)C(CC)(C4=CC=CC=C4)O)O","CCC(c1ccccc1)(C(=O)OCC1=CCN2[C@H]1[C@H](CC2)OC(=O)C(c1ccccc1)(CC)O)O",,0,F,0,F,1,0,0,0,0,1,0
53,1,0,0,1,0,0,0,1,0,44284870,"CC(C1=CC=CC=C1)(C(=O)OCC2=CC[N+]3(C2C(CC3)O)[O-])O","OC1CC[N+]2(C1C(=CC2)COC(=O)C(c1ccccc1)(O)C)[O-]",,0,F,0,F,1,0,0,0,0,0,0
54,1,0,0,1,0,0,0,1,0,44374459,"C1C[N+]2(CC=C(C2[C@@H]1O)COC(=O)C3=CC=CC=C3)[O-]","O[C@@H]1CC[N+]2(C1C(=CC2)COC(=O)c1ccccc1)[O-]",,0,F,0,F,1,0,1,0,0,1,0
55,1,0,0,1,0,0,0,1,0,44374601,"CC(C(C)(C(=O)OCC1=CC[N+]2([C@H]1[C@@H](CC2)O)[O-])O)O","O[C@@H]1CC[N+]2([C@@H]1C(=CC2)COC(=O)C(C(O)C)(O)C)[O-]",,0,F,0,F,1,0,0,0,1,0,0
56,1,0,0,0,0,1,0,0,1,44559289,"C/C=C(\C)/C(=O)O[C@@H](C)[C@@](C(C)C)(C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)C)O","C/C=C(/C(=O)O[C@H]([C@](C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)C)(C(C)C)O)C)\C",,0,T,0,F,1,0,0,0,1,0,0
57,1,0,0,0,0,1,0,1,0,71449185,"CC[C@](C1=CC=CC=C1)(C(=O)O[C@H]2CCN3[C@@H]2C(=CC3)CO)O","CC[C@](c1ccccc1)(C(=O)O[C@H]1CCN2[C@@H]1C(=CC2)CO)O",,0,F,0,F,1,0,0,0,0,0,0
58,1,0,0,1,0,0,0,1,0,71449186,"CC[C@](C1=CC=CC=C1)(C(=O)O[C@H]2CC[N+]3([C@@H]2C(=CC3)CO)[O-])O","CC[C@](c1ccccc1)(C(=O)O[C@H]1CC[N+]2([C@@H]1C(=CC2)CO)[O-])O",,0,F,0,F,1,0,0,0,0,0,0
59,1,0,0,1,0,0,0,0,1,71458133,"CC[C@](C1=CC=CC=C1)(C(=O)O[C@H]2CC[N+]3([C@@H]2C(=CC3)COC(=O)C(CC)(C4=CC=CC=C4)O)[O-])O","CCC(c1ccccc1)(C(=O)OCC1=CC[N+]2([C@H]1[C@H](CC2)OC(=O)[C@@](c1ccccc1)(CC)O)[O-])O",,0,F,0,F,1,0,0,0,0,0,0
60,1,0,0,1,0,0,0,0,1,76313095,"C/C=C(/C)\C(=O)O[C@H]1CC[N+]2([C@@H]1C(=CC2)COC(=O)[C@@]([C@@H](C)OC)(C(C)C)O)[O-]","C/C=C(\C(=O)O[C@H]1CC[N+]2([C@@H]1C(=CC2)COC(=O)[C@@]([C@H](OC)C)(C(C)C)O)[O-])/C",,0,T,1,F,1,0,0,0,0,1,1
61,1,0,0,0,0,1,1,0,0,76315880,"C[C@@H]1[C@H](C(C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC(=O)C1=C)(C)C)C","C=C1C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)C([C@@H]([C@H]1C)C)(C)C",,0,T,0,F,1,0,0,1,1,0,0
62,1,0,0,0,0,1,1,0,0,76330453,"C/C=C/1\C[C@H]([C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(COC(=O)C)O)C","C/C=C/1\C[C@@H](C)[C@](O)(COC(=O)C)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3",,0,T,1,F,1,0,0,1,1,1,1
63,1,0,0,1,0,0,0,0,1,76334042,"C/C=C(/C)\C(=O)O[C@@H]1CC[N+]2([C@@H]1C(=CC2)COC(=O)[C@@]([C@H](C)O)(C(C)(C)O)O)[O-]","C/C=C(\C(=O)O[C@@H]1CC[N+]2([C@@H]1C(=CC2)COC(=O)[C@](C(O)(C)C)([C@@H](O)C)O)[O-])/C",,0,T,0,F,1,0,0,0,0,0,1
64,1,0,0,0,0,1,1,0,0,59827875,"C/C=C\1/CC(=C)C(C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)C","C/C=C\1/CC(=C)C(C)(C)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3",,1,T,0,F,1,0,0,1,1,1,0
65,1,0,0,0,0,1,1,0,0,91554673,"CC=C1CC(=C)C(C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)C","CC=C1CC(=C)C(C)(C)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3",,1,T,0,F,1,0,0,1,1,1,0
66,1,0,0,0,0,1,1,0,0,31745,"CC=C1CC(=C)C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(CO)O","CC=C1CC(=C)C(O)(CO)C(=O)OCC2=CCN3C2C(OC1=O)CC3",,1,T,0,F,1,1,0,1,1,1,1
67,1,0,0,0,0,1,0,0,1,33555,"CC(C)C(C(C)OC)(C(=O)OCC1=CCN2C1[C@H](CC2)OC(=O)C)O","COC(C(C(=O)OCC1=CCN2C1[C@H](CC2)OC(=O)C)(C(C)C)O)C",,0,T,0,F,1,0,0,0,1,0,0
68,1,0,0,0,0,1,0,0,1,43040,"CCCCC(=O)OCC1=CCN2C1[C@H](CC2)OC(=O)CCCC","CCCCC(=O)OCC1=CCN2C1[C@H](CC2)OC(=O)CCCC",,0,F,0,F,0,0,0,0,0,0,0
69,1,0,0,0,0,1,1,0,0,72614,"C[C@@H]1C[C@@](C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]1(C)O)(C(C)Cl)O","CC([C@@]1(O)C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3)Cl",,0,T,0,F,1,0,0,1,1,1,1
70,1,0,0,1,0,0,1,0,0,107939,"CC=C1C[C@H]([C@@](C(=O)OCC2=CC[N+]3([C@H]2[C@@H](CC3)OC1=O)[O-])(C)O)C","CC=C1C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N+]3([C@H]2[C@H](OC1=O)CC3)[O-]",,0,T,1,F,1,0,0,1,1,1,1
71,1,0,0,0,0,1,1,0,0,119052,"C[C@H]1[C@@]2(O1)CC(=C)[C@@](C(=O)OCC3=CCN4[C@H]3[C@@H](CC4)OC2=O)(C)O","O=C1O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@](C(=C)C[C@]21O[C@H]2C)(C)O",,0,T,0,F,1,0,0,1,1,1,1
72,1,0,0,1,0,0,0,0,1,119390,"CC=C(C)C(=O)OC1CC[N+]2(C1C(=CC2)COC(=O)C(C(C)OC)(C(C)(C)O)O)[O-]","COC(C(C(O)(C)C)(C(=O)OCC1=CC[N+]2(C1C(CC2)OC(=O)C(=CC)C)[O-])O)C",,0,T,0,F,1,0,0,0,1,0,1
73,1,0,0,0,0,1,0,0,1,148316,"C1CN2CC=C([C@@H]2[C@@H]1OC(=O)C3=CC=C(C=C3)Cl)COC(=O)C4=CC=C(C=C4)Cl","Clc1ccc(cc1)C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)c1ccc(cc1)Cl",,0,F,0,F,0,0,0,0,0,1,0
74,1,0,0,0,0,1,0,0,1,148317,"COC1=CC(=CC(=C1OC)OC)C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC(=O)C4=CC(=C(C(=C4)OC)OC)OC","COc1c(OC)cc(cc1OC)C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)c1cc(OC)c(c(c1)OC)OC",,0,F,0,F,1,0,0,0,0,0,0
75,1,0,0,0,0,1,0,0,1,148318,"C1CN2CC=C([C@@H]2[C@@H]1OC(=O)C3=CC4=C(C=C3)OCO4)COC(=O)C5=CC6=C(C=C5)OCO6","O=C(c1ccc2c(c1)OCO2)OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)c1ccc2c(c1)OCO2",,0,F,0,F,1,0,0,1,1,1,0
76,1,0,0,0,0,1,0,0,1,148326,"C1CN2CC=C([C@@H]2[C@@H]1OC(=O)CC3=CC=CC=C3)COC(=O)CC4=CC=CC=C4","O=C(Cc1ccccc1)OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)Cc1ccccc1",,0,F,1,F,1,0,0,0,0,0,0
77,1,0,0,0,0,1,1,0,0,153499,"CC1C(C(C(=O)OCC2=CCN3C2C(CC3)OC(=O)C1=C)(C)O)C","C=C1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C(C1C)C)(C)O",0,0,T,0,F,1,0,0,1,0,0,0
78,1,0,0,0,0,1,0,0,1,156006,"C[C@@H]([C@@](C(C)C)(C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)C)O)O","CC(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@@H](O)C)(C(C)C)O",,0,T,0,F,1,0,0,0,1,0,0
79,1,0,0,0,0,1,1,0,0,156038,"CC1C(C(=O)OCC2=CCN3C2C(CC3)OC(=O)C(CC(=O)O1)(C(C)C)O)(C(C)C)O","O=C1OC(C)C(O)(C(C)C)C(=O)OCC2=CCN3C2C(OC(=O)C(C1)(O)C(C)C)CC3",,0,T,0,F,1,0,0,1,1,1,1
80,1,0,0,0,0,1,1,0,0,156169,"CC1C(C(C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC(=O)C1C)O)C","CC1C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)C(C(C1C)C)O",,0,F,0,F,1,0,0,1,1,1,0
81,1,0,0,0,0,1,1,0,0,156170,"CC1C(C(=O)OC2CCN3C2C(=CC3)COC(=O)C1C(C)O)C","O=C1OC2CCN3C2C(=CC3)COC(=O)C(C(C1C)C)C(O)C",,0,F,1,F,1,0,0,1,1,1,0
82,1,0,0,0,0,1,0,0,1,156778,"C[C@@H]([C@](C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)C)(C(C)(C)O)O)O","CC(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@](C(O)(C)C)([C@@H](O)C)O",,0,T,0,F,1,0,0,0,1,0,0
83,1,0,0,0,0,1,1,0,0,157017,"CCC(C)(C1(C(C(=O)OC(C(C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C(C)C)O)C)O)O)O","CCC(C1(O)C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)C(C(OC(=O)C1O)C)(O)C(C)C)(O)C",,0,T,0,F,1,0,0,1,1,1,1
84,1,0,0,0,0,1,1,0,0,158192,"C[C@H]1C2(O1)C[C@]3(CO3)[C@@](C(=O)OCC4=CCN5[C@H]4[C@@H](CC5)OC2=O)(C)O","O=C1O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@@]2(CC31O[C@H]3C)OC2)(C)O",,0,T,0,F,1,0,0,1,1,1,1
85,1,0,0,0,0,1,0,0,1,162662,"C1CN2CC=C(C2C1OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])COC(=O)C4=CC=C(C=C4)[N+](=O)[O-]","O=C(c1ccc(cc1)[N+](=O)[O-])OCC1=CCN2C1C(CC2)OC(=O)c1ccc(cc1)[N+](=O)[O-]",,1,F,0,F,1,1,1,1,1,0,0
86,1,0,0,0,0,1,1,0,0,165417,"C[C@@H]1C(C(C(=O)O[C@@H]2CCN3C2C(=CC3)COC(=O)C1(C)O)(CO)O)C","OCC1(O)C(=O)O[C@@H]2CCN3C2C(=CC3)COC(=O)C([C@@H](C1C)C)(C)O",,0,T,0,F,1,0,0,1,1,1,1
87,1,0,0,0,0,1,1,0,0,165551,"CCC12C(C(C(=O)OCC3=CC[N+]4(C3(C(CC4)OC1=O)O)C)(OC2=O)C)C","CCC12C(=O)OC3CC[N+]4(C3(O)C(=CC4)COC(=O)C(C2C)(OC1=O)C)C",,1,F,0,F,1,0,0,1,1,1,1
88,1,0,0,0,0,1,0,0,1,167211,"CC(C)CC(=O)OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)CC(C)C","CC(CC(=O)OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)CC(C)C)C",,0,F,0,F,0,0,0,0,1,0,0
89,1,0,0,0,0,1,1,0,0,169196,"C[C@H]1[C@H](C(=O)O[C@@H]2CC[N@+]3([C@@]2(C(=CC3)COC(=O)[C@]1(C)O)O)C)C(C)C","CC([C@H]1C(=O)O[C@@H]2CC[N@+]3([C@]2(O)C(=CC3)COC(=O)[C@]([C@H]1C)(C)O)C)C",,0,T,1,F,1,0,0,1,1,1,1
90,1,0,0,0,0,1,1,0,0,169779,"CCC1CC(=C)C(C(=O)OCC2=CC[N+]3(C2([C@@H](CC3)OC1=O)O)C)(C)O","CCC1CC(=C)C(C)(O)C(=O)OCC2=CC[N+]3(C2([C@H](OC1=O)CC3)O)C",,1,F,1,F,1,0,0,1,1,1,1
91,1,0,0,1,0,0,0,0,1,179107,"CCC(C)C(=O)OC1CC[N+]2(C1C(=CC2)COOC(=O)C3=C(OC(=O)C3C)C)[O-]","CCC(C(=O)OC1CC[N+]2(C1C(=CC2)COOC(=O)C1=C(C)OC(=O)C1C)[O-])C",,0,F,0,F,1,0,0,0,0,0,0
92,1,0,0,0,0,1,1,0,0,180203,"CC(C)C1C(C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(C)O)O","CC(C1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C1O)(C)O)C",,0,T,0,F,1,0,0,1,1,1,1
93,1,0,0,0,0,1,0,0,1,180509,"CC(C)C(C(C)O)(C(=O)OCC1=CCN2C1C(CC2)OC(=O)CC(C)(C)O)O","O=C(CC(O)(C)C)OC1CCN2C1C(=CC2)COC(=O)C(C(O)C)(C(C)C)O",,0,T,1,F,1,0,0,0,1,0,0
94,1,0,0,0,0,1,1,0,0,181267,"CC1CC2(C(O2)C)C(=O)OC3CC[N+]4(C3(C(=CC4)COC(=O)C1(C)O)O)C","O=C1OC2CC[N+]3(C2(O)C(=CC3)COC(=O)C(C(CC21OC2C)C)(C)O)C",,1,T,0,F,1,0,0,1,1,1,1
95,1,0,0,0,0,1,1,0,0,181871,"CC[C@H]1C[C@H]([C@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)O)C","CC[C@H]1C[C@@H](C)[C@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3",,0,T,0,F,1,0,0,1,1,1,0
96,1,0,0,0,0,1,1,0,0,181990,"CC[C@]1(C[C@H]([C@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)O)C)O","CC[C@@]1(O)C[C@@H](C)[C@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3",,0,T,0,F,1,0,0,1,1,1,1
97,1,0,0,0,0,1,0,1,0,182761,"CC1C(=O)OC(C1(C)C(=O)OCC2=CCN3C2C(CC3)O)C","OC1CCN2C1C(=CC2)COC(=O)C1(C)C(C)OC(=O)C1C",,0,F,0,F,1,0,0,0,0,0,0
98,1,0,0,0,0,1,0,0,1,186182,"CCNC(=O)OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)NCC","CCNC(=O)OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)NCC",,0,F,0,F,1,0,0,0,0,0,0
99,1,0,0,0,0,1,0,1,0,186973,"CCNC(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC","COCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)NCC",,0,F,0,F,1,0,0,0,0,0,0
100,1,0,0,0,0,1,0,1,0,186974,"CCNC(=O)OCC1=CCN2[C@H]1[C@@H](CC2)O","CCNC(=O)OCC1=CCN2[C@H]1[C@H](O)CC2",,0,T,0,F,1,0,0,0,0,0,0
101,1,0,0,0,0,1,0,0,1,186977,"CC(C(C)(C(=O)OCC1=CCN2C1C(CC2)OC(=O)C(C)(C(C)O)O)O)O","CC(C(C(=O)OCC1=CCN2C1C(CC2)OC(=O)C(C(O)C)(O)C)(O)C)O",,0,T,0,F,1,0,0,0,1,0,0
102,1,0,0,0,0,1,0,0,1,186980,"CCC(C)(C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)C)OC(=O)C","CCC(C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)C)(OC(=O)C)C",,0,T,0,F,0,0,0,0,0,0,0
103,1,0,0,0,0,1,0,0,1,187805,"CC(C)C(C(C)OC(=O)C)(C(=O)OCC1=CCN2C1C(CC2)OC(=O)C)OC(=O)C","CC(=O)OC1CCN2C1C(=CC2)COC(=O)C(C(OC(=O)C)C)(C(C)C)OC(=O)C",,0,T,1,F,0,0,0,0,0,0,0
104,1,0,0,0,0,1,1,0,0,188435,"C[C@@H]1C[C@@]2(CC(=O)O[C@@H]3CCN4[C@@H]3C(=CC4)COC(=O)[C@@]1(O2)C)C","O=C1O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@@]2(O[C@](C1)(C)C[C@H]2C)C",,0,T,0,F,0,0,0,1,1,1,0
105,1,0,0,0,0,1,1,0,0,189677,"CCC1([C@@H](C(C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC1=O)C(C)C)O)O","CCC1(O)C(=O)OCC2=CCN3[C@H]2[C@H](OC(=O)C([C@H]1O)C(C)C)CC3",,0,T,0,F,1,0,0,1,1,1,1
106,1,0,0,1,0,0,1,0,0,190233,"CC1C(=O)OCC2=CC[N+]3(C2C(CC3)OC(=O)C(C1(C)O)C)[O-]","O=C1OC2CC[N+]3(C2C(=CC3)COC(=O)C(C(C1C)(C)O)C)[O-]",,0,F,1,F,1,0,0,1,1,1,1
107,1,0,0,0,0,1,1,0,0,213104,"CC1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C1(C)OC(=O)C)(C)OC(=O)C","CC(=O)OC1(C)C(=O)OCC2=CCN3C2C(OC(=O)C(C1(C)OC(=O)C)C)CC3",,0,T,1,F,1,0,0,1,1,1,0
108,1,0,0,0,0,1,0,0,0,427386,"CCC[N+]12CCC(C1C(=CC2)CO)O","CCC[N+]12CCC(C2C(=CC1)CO)O",,,,1,F,1,0,0,0,1,0,0
109,1,0,0,0,0,1,1,0,0,427628,"CC1C(=O)OC2CC[N+]3(C2C(=CC3)COC(=O)C(C1(C)O)(C)O)C","O=C1OC2CC[N+]3(C2C(=CC3)COC(=O)C(C(C1C)(C)O)(C)O)C",,0,F,0,F,1,0,0,1,1,1,1
110,1,0,0,0,0,1,1,0,0,427631,"CC1C(=O)OC2CC[N+]3(C2C(=CC3)COC(=O)C(C1(C)O)(C)O)CC=C","C=CC[N+]12CCC3C2C(=CC1)COC(=O)C(C(C(C(=O)O3)C)(C)O)(C)O",,0,F,1,F,1,0,0,1,1,1,1
111,1,0,0,0,0,1,0,0,0,427636,"CC[N+]12CCC(C1C(=CC2)CO)O","OCC1=CC[N+]2(C1C(O)CC2)CC",,,,1,F,1,0,0,1,1,1,0
112,1,0,0,0,0,1,0,1,0,428743,"CC(C)C(C(C)O)(C(=O)OCC1=CC[N+]2(C1C(CC2)O)C)O","OC1CC[N+]2(C1C(=CC2)COC(=O)C(C(O)C)(C(C)C)O)C",,0,F,0,F,1,0,0,0,1,0,0
113,1,0,0,0,0,1,0,1,0,442740,"C[C@H]([C@](C(C)C)(C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)CO)O)O","OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)[C@]([C@H](O)C)(C(C)C)O",,0,T,0,F,1,0,0,0,1,0,0
114,1,0,0,0,0,1,0,0,1,442742,"CC=C(C)C(=O)O[C@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@H](C)OC)(C(C)(C)O)O","CO[C@H]([C@@](C(O)(C)C)(C(=O)OCC1=CCN2[C@H]1[C@H](CC2)OC(=O)C(=CC)C)O)C",,1,T,0,F,1,0,0,0,1,0,1
115,1,0,0,0,0,1,0,0,1,494923,"CC=C(C)C(=O)OC1CCN2C1C(=CC2)COC(=O)C3(C(C(=O)OC3C)C)O","CC=C(C(=O)OC1CCN2C1C(=CC2)COC(=O)C1(O)C(C)OC(=O)C1C)C",,0,T,0,F,1,0,0,0,1,1,1
116,1,0,0,0,0,1,0,0,1,522876,"CC=C(C)C(=O)OC1CCN2C1C(=CC2)COC(=O)C(=CC)CO","CC=C(C(=O)OC1CCN2C1C(=CC2)COC(=O)C(=CC)CO)C",,0,T,0,F,1,0,0,0,0,0,0
117,1,0,0,0,0,1,0,1,0,610955,"CC(C)C(C(C)O[Si](C)(C)C)(C(=O)OCC1=CCN2C1C(CC2)O[Si](C)(C)C)O[Si](C)(C)C","CC(C(C(O[Si](C)(C)C)C)(C(=O)OCC1=CCN2C1C(CC2)O[Si](C)(C)C)O[Si](C)(C)C)C",,0,T,0,F,0,0,0,0,0,0,0
118,1,0,0,0,0,1,0,1,0,636922,"CC(C)[C@@](C)(C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)O)O","O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@](C(C)C)(O)C",,0,T,0,F,1,0,0,0,0,0,0
119,1,0,0,0,0,1,0,0,1,638871,"C[C@@H]1C(=O)O[C@H]([C@]1(C(=O)OCC2=CCN3[C@@H]2[C@@H](CC3)OC(=O)C)O)C","CC(=O)O[C@@H]1CCN2[C@H]1C(=CC2)COC(=O)[C@]1(O)[C@H](C)OC(=O)[C@H]1C",,0,T,0,F,1,0,0,1,1,1,0
120,1,0,0,0,0,1,0,1,0,638872,"C/C=C(/C)\C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)O","C/C=C(\C(=O)OCC1=CCN2[C@H]1[C@H](O)CC2)/C",,0,T,0,F,1,0,0,0,0,0,0
121,1,0,0,0,0,1,0,0,1,3033169,"CC(C)(C)C(=O)OCC1=CCN2[C@H]1[C@H](CC2)OC(=O)C(C)(C)C","O=C(C(C)(C)C)OCC1=CCN2[C@H]1[C@H](CC2)OC(=O)C(C)(C)C",,0,F,1,F,0,0,0,0,0,0,0
122,1,0,0,1,0,0,0,0,0,3038510,"C1C[N@+]2(CC=C([C@@H]2[C@@H]1O)CO)[O-]","OCC1=CC[N@+]2([C@H]1[C@H](O)CC2)[O-]",,0,F,0,F,1,0,1,0,0,0,0
123,1,0,0,1,0,0,0,1,0,3080172,"CC[C@@](C1=CC=C(C=C1)Cl)(C(=O)OCC2=CC[N+]3([C@H]2[C@@H](CC3)O)[O-])O","CC[C@@](c1ccc(cc1)Cl)(C(=O)OCC1=CC[N+]2([C@H]1[C@H](O)CC2)[O-])O",,0,F,1,F,1,0,0,0,0,0,0
124,1,0,0,0,0,1,1,0,0,3085052,"CCC1(C(=O)OC2CCN3[C@@H]2C(=CC3)COC(=O)C(C1(C)O)(C)O)C","CCC1(C)C(=O)OC2CCN3[C@@H]2C(=CC3)COC(=O)C(C1(C)O)(C)O",,0,T,0,F,1,0,0,1,1,1,1
125,1,0,0,0,0,1,1,0,0,3086069,"C[C@@H]1[C@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC(=O)[C@]([C@H](C(=O)O1)O)(C(C)C)O)(C(C)C)O","O=C1O[C@H](C)[C@@](O)(C(C)C)C(=O)OCC2=CCN3[C@H]2[C@H](OC(=O)[C@@]([C@H]1O)(O)C(C)C)CC3",,0,T,0,F,1,0,0,1,1,1,1
126,1,0,0,0,0,1,0,0,0,3360000,"COCC1=CCN2C1C(CC2)O","COCC1=CCN2C1C(O)CC2",,0,T,0,F,1,0,0,0,0,1,0
127,1,0,0,0,0,1,1,0,0,5036864,"CC=C1C=C(C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(C)O)C","CC=C1C=C(C)C(C)(O)C(=O)OCC2=CCN3C2C(OC1=O)CC3",,1,T,0,F,1,0,0,1,1,1,1
128,1,0,0,0,0,1,0,1,0,5134178,"CC(C)C(C(C)OC)C(=O)OCC1=CCN2C1C(CC2)O","COC(C(C(=O)OCC1=CCN2C1C(O)CC2)C(C)C)C",,0,T,0,F,1,0,0,0,0,0,0
129,1,0,0,0,0,1,1,0,0,5255771,"CC(C)C1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C1(C)O)(CO)O","OCC1(O)C(=O)OCC2=CCN3C2C(OC(=O)C(C1(C)O)C(C)C)CC3",,0,T,0,F,1,0,0,1,1,1,1
130,1,0,0,0,0,1,0,1,0,5281721,"C/C=C(/C)\C(=O)O[C@H]1CCN2[C@@H]1C(=CC2)CO","C/C(=C/C)/C(=O)O[C@H]1CCN2[C@@H]1C(=CC2)CO",,0,T,0,F,1,0,0,0,0,0,0
131,1,0,0,0,0,1,0,1,0,5318830,"C/C=C(\C)/C(=O)OCC1=CCN2C1[C@@H](CC2)O","C/C=C(/C(=O)OCC1=CCN2C1[C@H](O)CC2)\C",,0,T,0,F,1,0,0,0,0,0,0
132,1,0,0,0,0,1,1,0,0,5319875,"C[C@H]1C(=O)OC2CCN3[C@@H]2C(=CC3)COC(=O)[C@@]([C@]1(C)O)(C)O","O=C1OC2CCN3[C@@H]2C(=CC3)COC(=O)[C@@]([C@]([C@H]1C)(C)O)(C)O",,0,T,0,F,1,1,0,1,1,1,1
133,1,0,0,0,0,1,0,0,1,5319976,"C/C=C(\C)/C(=O)O[C@@H]1CCN2C1C(=CC2)COC(=O)[C@@]([C@H](C)O)(C(C)C)O","C/C=C(/C(=O)O[C@@H]1CCN2C1C(=CC2)COC(=O)[C@@]([C@@H](O)C)(C(C)C)O)\C",,0,T,0,F,1,0,0,0,1,0,0
134,1,0,0,0,0,1,1,0,0,5320165,"C/C=C/1\CC(C(C(=O)OCC2=CCN3C2[C@@H](CC3)OC1=O)O)C","C/C=C/1\CC(C)C(O)C(=O)OCC2=CCN3C2[C@H](OC1=O)CC3",,0,T,0,F,1,0,0,1,1,1,1
135,1,0,0,0,0,1,1,0,0,5321160,"C[C@@H]1C(C(C(=O)OCC2=CCN3C2[C@@H](CC3)OC(=O)C1(C)O)(CO)O)C","OCC1(O)C(=O)OCC2=CCN3C2[C@H](OC(=O)C([C@@H](C1C)C)(C)O)CC3",,0,T,0,F,1,0,0,1,1,1,1
136,1,0,0,0,0,1,0,0,1,5368830,"C/C=C(/CO)\C(=O)OCC1=CCN2C1C(CC2)OC(=O)/C=C(\C)/CO","OC/C(=C/C(=O)OC1CCN2C1C(=CC2)COC(=O)/C(=C\C)/CO)/C",,0,T,0,F,1,0,0,0,0,1,0
137,1,0,0,0,0,1,1,0,0,5379437,"C/C=C/1\C(C(C(C(=O)OCC2=CC[N+]3(C2(C(CC3)OC1=O)O)C)(C)OC(=O)C)C)OC(=O)C","C/C=C\1/C(=O)OC2CC[N+]3(C2(O)C(=CC3)COC(=O)C(C(C1OC(=O)C)C)(C)OC(=O)C)C",,1,T,1,F,1,0,0,1,1,1,0
138,1,0,0,0,0,1,1,0,0,5566367,"C/C=C\1/CC(=C)[C@](C(=O)OCC2=CCN3[C@@H]2[C@@H](CC3)OC1=O)(C)O","C/C=C\1/CC(=C)[C@](C)(O)C(=O)OCC2=CCN3[C@@H]2[C@H](OC1=O)CC3",,1,T,0,F,1,0,0,1,1,1,1
139,1,0,0,0,0,1,1,0,0,5969895,"C/C=C/1\CC(=C)C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(CO)O","C/C=C/1\CC(=C)C(O)(CO)C(=O)OCC2=CCN3C2C(OC1=O)CC3",,1,T,0,F,1,1,0,1,1,1,1
140,1,0,0,1,0,0,1,0,0,6104648,"C/C=C/1\CC(C(C(=O)OCC2=CC[N+]3(C2C(CC3)OC1=O)[O-])(C)O)C","C/C=C/1\CC(C)C(C)(O)C(=O)OCC2=CC[N+]3(C2C(OC1=O)CC3)[O-]",,0,T,0,F,1,0,0,1,1,1,1
141,1,0,0,0,0,1,1,0,0,6254547,"C/C=C/1\C=C(/C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(C)O)\C","C/C=C/1\C=C(\C)/C(C)(O)C(=O)OCC2=CCN3C2C(OC1=O)CC3",,1,T,0,F,1,0,0,1,1,1,1
142,1,0,0,0,0,1,0,0,1,6351912,"C/C=C(/C)\C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@@H](C)OC)(C(C)(C)O)O","CO[C@@H]([C@@](C(O)(C)C)(C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)/C(=C\C)/C)O)C",,1,T,0,F,1,0,0,0,1,0,1
143,1,0,0,0,0,1,0,0,0,6429351,"COCC1=CCN2C1[C@@H](CC2)OC","COCC1=CCN2C1[C@H](OC)CC2",,0,F,0,F,1,0,0,1,1,0,0
144,1,0,0,0,0,1,0,0,1,6429352,"CC(C(C(=O)OCC1=CCN2C1[C@@H](CC2)OC(=O)C)O)O","CC(=O)O[C@@H]1CCN2C1C(=CC2)COC(=O)C(C(O)C)O",,0,F,0,F,1,0,0,1,1,1,0
145,1,0,0,0,0,1,0,0,1,6429354,"CC(C)C(C(=O)OCC1=CCN2C1[C@@H](CC2)OC(=O)C)O","CC(=O)O[C@@H]1CCN2C1C(=CC2)COC(=O)C(C(C)C)O",,0,F,0,F,1,0,0,0,0,0,0
146,1,0,0,0,0,1,0,0,1,6429355,"CCC(C)C(=O)OCC1=CCN2C1[C@@H](CC2)OC(=O)C","CCC(C(=O)OCC1=CCN2C1[C@@H](CC2)OC(=O)C)C",,0,T,0,F,0,0,0,0,0,0,0
147,1,0,0,0,0,1,0,1,0,6429356,"CC(=O)O[C@@H]1CCN2C1C(=CC2)CO","OCC1=CCN2C1[C@@H](CC2)OC(=O)C",,0,T,0,F,1,0,0,0,0,0,0
148,1,0,0,0,0,1,0,0,1,6431047,"C/C=C(/C)\C(=O)O[C@@H]1CCN2C1C(=CC2)COC(=O)C(C(C)OC(=O)C)(C(C)(C)O)O","C/C=C(\C(=O)O[C@@H]1CCN2C1C(=CC2)COC(=O)C(C(O)(C)C)(C(OC(=O)C)C)O)/C",,0,T,0,F,1,0,0,0,1,0,1
149,1,0,0,0,0,1,0,0,1,6431048,"CCC(C)C(=O)O[C@@H]1CCN2C1C(=CC2)COC(=O)C(C(C)O)O","CCC(C(=O)O[C@@H]1CCN2C1C(=CC2)COC(=O)C(C(O)C)O)C",,0,F,0,F,1,0,0,0,1,0,0
150,1,0,0,1,0,0,1,0,0,6433648,"C/C=C/1\C[C@H]([C@@](C(=O)OCC2=CC[N+]3(C2[C@@H](CC3)OC1=O)[O-])(CO)O)C","C/C=C/1\C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CC[N+]3(C2[C@H](OC1=O)CC3)[O-]",,0,T,0,F,1,0,0,1,1,1,1
151,1,0,0,0,0,1,1,0,0,6433995,"C/C=C/1\CC(C(C(=O)OCC2=CC[N+]3(C2(C(CC3)OC1=O)O)C)(CO)O)C","C/C=C/1\CC(C)C(O)(CO)C(=O)OCC2=CC[N+]3(C2(C(OC1=O)CC3)O)C",,0,T,0,F,1,0,0,1,1,1,1
152,1,0,0,0,0,1,1,0,0,6437833,"CC1/C=C(/C(=O)OC2CC[N+]3(C2(C(=CC3)COC(=O)C1(C)OC(=O)C)O)C)\C=C","C=C/C/1=C\C(C)C(C)(OC(=O)C)C(=O)OCC2=CC[N+]3(C2(C(OC1=O)CC3)O)C",,1,T,0,F,1,0,0,1,1,0,0
153,1,0,0,0,0,1,1,0,0,6437851,"C/C=C/1\C[C@H]([C@@](C(=O)OCC2=CC[N+]3([C@]2([C@@H](CC3)OC1=O)O)C)(C)O)C","C/C=C/1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N+]3([C@]2([C@H](OC1=O)CC3)O)C",,1,T,0,F,1,0,0,1,1,1,1
154,1,0,0,1,0,0,0,0,1,6440495,"C/C=C(\C)/C(=O)OC1CC[N+]2(C1C(=CC2)COC(=O)C(C(C)C)(C(C)O)O)[O-]","C/C=C(/C(=O)OC1CC[N+]2(C1C(=CC2)COC(=O)C(C(O)C)(C(C)C)O)[O-])\C",,0,T,0,F,1,0,0,0,0,0,0
155,1,0,0,0,0,1,1,0,0,6440559,"C[C@@H]1C/C(=C/C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]1(C)O)/C","O=C1/C=C(\C)/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@H](O1)CC3",,0,T,0,F,1,0,0,1,1,1,1
156,1,0,0,0,0,1,0,0,1,6440796,"C/C=C(\C)/C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)/C(=C\C)/CO","C/C=C(/C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)/C(=C\C)/CO)\C",,0,T,1,F,1,0,0,0,0,0,0
157,1,0,0,0,0,1,1,0,0,6440923,"C/C=C\1/CC2(CO2)C(C(=O)OCC3=CCN4C3C(CC4)OC1=O)(C)O","C/C=C\1/CC2(OC2)C(C)(O)C(=O)OCC2=CCN3C2C(OC1=O)CC3",,0,T,0,F,1,0,0,1,1,1,1
158,1,0,0,0,0,1,0,0,1,6441608,"C1CN2CC=C([C@@H]2[C@@H]1OC(=O)/C=C/C3=CC=CC=C3)COC(=O)/C=C/C4=CC=CC=C4","O=C(OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)/C=C/c1ccccc1)/C=C/c1ccccc1",,0,F,0,F,1,0,0,0,0,0,0
159,1,0,0,0,0,1,0,1,0,6442429,"CC(C)[C@](C(C)OC(=O)/C=C/C1=CC=C(C=C1)O)(C(=O)OCC2=CCN3[C@H]2[C@H](CC3)O)O","O=C(OC([C@](C(=O)OCC1=CCN2[C@H]1[C@@H](O)CC2)(C(C)C)O)C)/C=C/c1ccc(cc1)O",,0,T,0,F,1,0,0,0,0,0,0
160,1,0,0,1,0,0,0,1,0,6442556,"C/C=C(/C)\C(=O)OCC1=CC[N+]2([C@H]1[C@@H](CC2)O)[O-]","C/C=C(\C(=O)OCC1=CC[N+]2([C@H]1[C@H](O)CC2)[O-])/C",,0,F,0,F,1,0,0,0,0,0,0
161,1,0,0,0,0,1,1,0,0,6442559,"C/C=C\1/C(C(C(C(=O)OCC2=CC[N+]3(C2(C(CC3)OC1=O)O)C)(C)OC(=O)C)C)OC(=O)C","C/C=C/1\C(=O)OC2CC[N+]3(C2(O)C(=CC3)COC(=O)C(C(C1OC(=O)C)C)(C)OC(=O)C)C",,1,T,1,F,1,0,0,1,1,1,0
162,1,0,0,1,0,0,1,0,0,6442619,"C/C=C/1\CC(=C)[C@@](C(=O)OCC2=CC[N+]3([C@H]2[C@@H](CC3)OC1=O)[O-])(C)O","C/C=C/1\CC(=C)[C@@](C)(O)C(=O)OCC2=CC[N+]3([C@H]2[C@H](OC1=O)CC3)[O-]",,1,T,0,F,1,0,0,1,1,0,1
163,1,0,0,0,0,1,0,0,1,6443105,"CCNC(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)/C(=C/C)/C","CCNC(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)/C(=C/C)/C",,0,T,1,F,1,0,0,0,0,0,0
164,1,0,0,0,0,1,1,0,0,6556553,"CC(C)[C@@H]1C(=O)O[C@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]1(C)O)(C)O","CC([C@@H]1C(=O)O[C@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@]1(C)O)(C)O)C",,0,T,0,F,1,0,0,1,1,1,1
165,1,0,0,0,0,1,1,0,0,6708770,"CC=C1C[C@H]([C@@](C(=O)OCC2=CCN3C2[C@@H](CC3)OC1=O)(CCO)O)C","OCC[C@]1(O)C(=O)OCC2=CCN3C2[C@H](OC(=O)C(=CC)C[C@H]1C)CC3",,0,T,1,F,1,0,0,1,1,1,1
166,1,0,0,0,0,1,1,0,0,7082455,"CC=C1CC(=C)[C@@](C(=O)OCC2=CCN3[C@@H]2[C@@H](CC3)OC1=O)(C)O","CC=C1CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3[C@@H]2[C@H](OC1=O)CC3",,1,T,0,F,1,0,0,1,1,1,1
167,1,0,0,0,0,1,1,0,0,7224673,"C/C=C/1\C=C(/[C@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)O)\C","C/C=C/1\C=C(\C)/[C@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3",,1,T,0,F,1,0,0,1,1,1,1
168,1,0,0,0,0,1,0,0,0,7457361,"C1C[N+]2(CC=C([C@@H]2[C@@H]1O)CO)CC3=CC=CC=C3","OCC1=CC[N+]2([C@H]1[C@H](O)CC2)Cc1ccccc1",,0,F,0,F,1,0,0,0,0,1,0
169,1,0,0,0,0,1,1,0,0,9548770,"C/C=C\1/C[C@H]([C@@H](COCC2=CCN3[C@H]2[C@@H](CC3)OC1)C)C","C/C=C/1\CO[C@@H]2CCN3[C@@H]2C(=CC3)COC[C@H]([C@@H](C1)C)C",,0,F,0,F,1,0,0,1,1,0,0
170,1,0,0,0,0,1,1,0,0,9975102,"C=C1CC(=C)C(=O)O[C@@H]2CCN3C2C(=CC3)COC(=O)[C@](C1)(CO)O","OC[C@@]1(O)CC(=C)CC(=C)C(=O)O[C@H]2C3C(=CCN3CC2)COC1=O",,1,T,0,F,1,0,0,1,1,0,1
171,1,0,0,0,0,1,0,0,1,10023607,"C/C=C(/C)\C(=O)O[C@H]1CCN2[C@@H]1C(=CC2)COC(=O)C(C(C)C)(C(C)OC)O","C/C=C(\C(=O)O[C@H]1CCN2[C@@H]1C(=CC2)COC(=O)C(C(OC)C)(C(C)C)O)/C",,0,T,0,F,1,0,0,0,1,0,0
172,1,0,0,0,0,1,0,0,1,10095536,"C[C@@H]([C@@](C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)CC(C)(C)O)(C(C)(C)C)O)OC(=O)C","O=C(CC(O)(C)C)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@](C(C)(C)C)([C@@H](OC(=O)C)C)O",,0,T,0,F,0,0,0,0,0,0,0
173,1,0,0,0,0,1,0,0,1,10251171,"C[C@@H]([C@@](C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)CC(C)(C)O)(C(C)(C)C)O)O","O=C(CC(O)(C)C)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@](C(C)(C)C)([C@@H](O)C)O",,0,T,0,F,0,0,0,0,0,0,0
174,1,0,0,1,0,0,0,0,1,10253491,"C/C=C(/C)\C(=O)O[C@H]1CC[N+]2([C@@H]1C(=CC2)COC(=O)C(C(C)OC(=O)C)(C(C)(C)O)O)[O-]","C/C=C(\C(=O)O[C@H]1CC[N+]2([C@@H]1C(=CC2)COC(=O)C(C(O)(C)C)(C(OC(=O)C)C)O)[O-])/C",,0,T,0,F,1,0,0,0,0,0,0
175,1,0,0,1,0,0,0,0,1,10412383,"C/C=C(/C)\C(=O)O[C@H]1CC[N+]2([C@@H]1C(=CC2)COC(=O)C(C(C)OC)(C(C)(C)OC(=O)C)O)[O-]","COC(C(C(OC(=O)C)(C)C)(C(=O)OCC1=CC[N+]2([C@H]1[C@H](CC2)OC(=O)/C(=C\C)/C)[O-])O)C",,0,T,0,F,1,0,0,0,0,0,0
176,1,0,0,0,0,1,1,0,0,10548599,"C[C@@H]1[C@H]([C@@]2(CC(=O)O[C@@H]3CCN4[C@@H]3C(=CC4)COC(=O)[C@]1(O2)C)C)OC(=O)C","CC(=O)O[C@@H]1[C@@H](C)[C@@]2(O[C@@]1(C)CC(=O)O[C@@H]1CCN3[C@@H]1C(=CC3)COC2=O)C",,0,F,0,F,1,0,0,1,1,1,0
177,1,0,0,0,0,1,1,0,0,10569935,"C[C@@]12CC(=O)O[C@@H]3CCN4[C@@H]3C(=CC4)COC(=O)[C@@](O1)([C@@](C2)(C)O)C","O=C1O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]2(O[C@](C1)(C)C[C@]2(C)O)C",,0,T,0,F,0,0,0,1,1,1,1
178,1,0,0,0,0,1,1,0,0,10572157,"C[C@H]1CC(=O)O[C@@H]2CCN3[C@H]2C(=CC3)COC(=O)[C@]1(C)OCC4=CC=CC=C4","O=C1O[C@@H]2CCN3[C@H]2C(=CC3)COC(=O)[C@]([C@H](C1)C)(C)OCc1ccccc1",,0,F,0,F,1,0,0,1,1,1,0
179,1,0,0,0,0,1,0,1,0,10577975,"C[C@H](CC(=O)SCCCS)[C@@](C)(C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)O)OCC3=CC=C(C=C3)OC","SCCCSC(=O)C[C@H]([C@@](C(=O)OCC1=CCN2[C@H]1[C@H](O)CC2)(OCc1ccc(cc1)OC)C)C",,0,F,0,F,0,0,0,0,0,0,0
180,1,0,0,0,0,1,1,0,0,10597940,"C[C@@H]1CC(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@@]1(C)OCC4=CC=C(C=C4)OC","COc1ccc(cc1)CO[C@]1(C)C(=O)OCC2=CCN3[C@H]2[C@H](OC(=O)C[C@H]1C)CC3",,0,F,0,F,1,0,0,1,1,1,0
181,1,0,0,0,0,1,0,0,1,10639512,"CCC(C)C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)/C(=C\C)/C","CCC(C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)/C(=C\C)/C)C",,0,T,0,F,1,0,0,0,0,0,0
182,1,0,0,0,0,1,0,1,0,10696910,"C[C@H](C=C1SCCCS1)[C@@](C)(C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)O)OCC4=CC=C(C=C4)OC","COc1ccc(cc1)CO[C@@]([C@@H](C=C1SCCCS1)C)(C(=O)OCC1=CCN2[C@H]1[C@H](O)CC2)C",,0,F,0,F,1,0,0,0,0,0,0
183,1,0,0,0,0,1,0,0,1,10710914,"CCC(C)C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)/C(=C/C)/C","CCC(C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)/C(=C/C)/C)C",,0,T,0,F,1,0,0,0,0,0,0
184,1,0,0,0,0,1,0,1,0,10719345,"C[C@H](C=C1SCCCS1)[C@@](C)(C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)O)OCC4=CC=CC=C4","O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@]([C@@H](C=C1SCCCS1)C)(OCc1ccccc1)C",,0,F,0,F,1,0,0,0,0,0,0
185,1,0,0,0,0,1,0,0,1,10759513,"C/C=C(/C)\C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)C(C(C)O)O","C/C=C(\C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)C(C(O)C)O)/C",,0,T,0,F,1,0,0,0,1,1,0
186,1,0,0,0,0,1,0,1,0,10838897,"C[C@H](CC(=O)SCCCS)[C@@](C)(C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)O)OCC3=CC=CC=C3","SCCCSC(=O)C[C@H]([C@@](C(=O)OCC1=CCN2[C@H]1[C@H](O)CC2)(OCc1ccccc1)C)C",,0,F,0,F,0,0,0,0,0,0,0
187,1,0,0,0,0,1,0,1,0,10938567,"C/C=C(/C[C@@H](C)[C@](C)(C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)O)OCSC)\C(=O)O","CSCO[C@]([C@@H](C/C(=C/C)/C(=O)O)C)(C(=O)OCC1=CCN2[C@H]1[C@H](O)CC2)C",,0,T,0,F,0,0,0,0,1,0,0
188,1,0,0,0,0,1,0,1,0,10939203,"C[N+]12CCC(C1(C(=CC2)COCC3=CC=CC=C3)OS(=O)(=O)[O-])OCC4=CC=CC=C4","[O-]S(=O)(=O)OC12C(OCc3ccccc3)CC[N+]2(C)CC=C1COCc1ccccc1",,,,0,F,0,0,0,0,1,1,0
189,1,0,0,0,0,1,0,1,0,10991752,"C/C=C(/C)\C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)CO[Si](C)(C)C(C)(C)C","C/C=C(\C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)CO[Si](C(C)(C)C)(C)C)/C",,0,T,0,F,0,0,0,0,1,0,0
190,1,0,0,1,0,0,1,0,0,10992912,"CC[C@H]1C[C@@H]([C@](C(=O)OCC2=CC[N+]3([C@H]2[C@@H](CC3)OC1=O)[O-])(C)OC(=O)C)C","CC[C@H]1C[C@H](C)[C@](C)(OC(=O)C)C(=O)OCC2=CC[N+]3([C@H]2[C@H](OC1=O)CC3)[O-]",,0,F,0,F,1,0,0,1,1,1,0
191,1,0,0,0,0,1,0,1,0,10996028,"C[C@H]([C@@H](C)[C@](C)(C(=O)OCC[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)C(=C)C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)CO[Si](C)(C)C(C)(C)C","O=C(C(=C)[C@@H]([C@H]([C@](C(=O)OCC[Si](C)(C)C)(O[Si](C(C)(C)C)(C)C)C)C)C)O[C@@H]1CCN2[C@@H]1C(=CC2)CO[Si](C(C)(C)C)(C)C",,0,T,1,F,0,0,0,0,0,0,0
192,1,0,0,0,0,1,0,1,0,11008580,"COC(=O)C1=CCN2[C@H]1[C@@H](CC2)O","COC(=O)C1=CCN2[C@H]1[C@H](O)CC2",,0,F,0,F,1,0,1,0,0,0,0
193,1,0,0,0,0,1,0,0,0,11011039,"CC(C)(C)[Si](C)(C)OCC1=CCN2[C@H]1[C@@H](CC2)O","O[C@@H]1CCN2[C@@H]1C(=CC2)CO[Si](C(C)(C)C)(C)C",,0,T,,,1,0,0,1,1,1,0
194,1,0,0,0,0,1,0,0,0,11014516," dibutylstannane"","OCC1=CCN2[C@H]1[C@H](O)CC2.CCCC[Sn]CCCC",,0,T,0,F,0,0,0,0,0,1,0
195,1,0,0,0,0,1,1,0,0,11058357,"C/C=C/1\C[C@H]([C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)OCSC)C","CSCO[C@@]1(C)C(=O)OCC2=CCN3[C@H]2[C@H](OC(=O)/C(=C/C)/C[C@H]1C)CC3",,0,T,0,F,1,0,0,1,1,1,0
196,1,0,0,0,0,1,1,0,0,11068907,"CC[C@H]1C[C@@H]([C@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)OC(=O)C)C","CC[C@H]1C[C@H](C)[C@](C)(OC(=O)C)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3",,0,F,1,F,1,0,0,1,1,1,0
197,1,0,0,0,0,1,0,0,0,11241297,"CC(C)(C)O[C@H]1CCN2[C@@H]1C(=CC2)CO","OCC1=CCN2[C@H]1[C@H](CC2)OC(C)(C)C",,0,T,0,F,1,0,0,0,0,0,0
198,1,0,0,0,0,1,0,1,0,11436705,"CCOC(=O)C1=CCN2[C@H]1[C@H](CC2)OC(C)(C)C","CCOC(=O)C1=CCN2[C@H]1[C@H](CC2)OC(C)(C)C",,0,F,0,F,1,0,0,0,0,0,0
199,1,0,0,0,0,1,0,1,0,11522514,"C[C@@H]([C@@](CC(C)C)(C(=O)OCC1=CCN2[C@H]1[C@H](CC2)O)O)O","CC(C[C@@](C(=O)OCC1=CCN2[C@H]1[C@@H](O)CC2)([C@@H](O)C)O)C",,0,T,0,F,1,0,0,0,0,0,0
200,1,0,0,0,0,1,1,0,0,11594349,"C[C@@H]1[C@@](C(=O)OCC2=CCN3[C@H]2[C@H](O1)CC3)(C(C)C)O","CC([C@@]1(O)[C@@H](C)O[C@@H]2CCN3[C@@H]2C(=CC3)COC1=O)C",,0,T,0,F,1,0,0,0,1,0,0
201,1,0,0,0,0,1,0,1,0,11618501,"C[C@@H](C1=C(C=C(C=C1C(C)C)C(C)C)C(C)C)O[C@@H]2CCN3[C@@H]2C(=CC3)C(=O)OC","COC(=O)C1=CCN2[C@H]1[C@@H](CC2)O[C@H](c1c(cc(cc1C(C)C)C(C)C)C(C)C)C",,,,0,F,0,0,0,0,0,0,0
202,1,0,0,0,0,1,1,0,0,11811349,"C/C=C\1/C[C@H]([C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)OCSC)C","CSCO[C@@]1(C)C(=O)OCC2=CCN3[C@H]2[C@H](OC(=O)/C(=C\C)/C[C@H]1C)CC3",,0,T,0,F,1,0,0,1,1,1,0
203,1,0,0,0,0,1,0,0,0,11827237,"C[N+]12CCC(C1(C(=CC2)COCC3=CC=CC=C3)OS(=O)(=O)/N=C(/[O-])\OC)OCC4=CC=CC=C4","CO/C(=N\S(=O)(=O)OC12C(OCc3ccccc3)CC[N+]2(C)CC=C1COCc1ccccc1)/[O-]",,,,0,F,0,0,0,0,0,0,0
204,1,0,0,0,0,1,0,0,0,11827238,"C[N+]12CCC(C1(C(=CC2)COCC3=CC=CC=C3)OS(=O)(=O)NC(=O)OC)OCC4=CC=CC=C4","COC(=O)NS(=O)(=O)OC12C(OCc3ccccc3)CC[N+]2(C)CC=C1COCc1ccccc1",,,,0,F,0,0,0,0,0,0,0
205,1,0,0,1,0,0,0,1,0,12085704,"C[C@H]([C@](C(=O)OCC1=CC[N+]2([C@H]1[C@@H](CC2)O)[O-])(C(C)(C)O)O)O","O[C@@H]1CC[N+]2([C@@H]1C(=CC2)COC(=O)[C@](C(O)(C)C)([C@H](O)C)O)[O-]",,0,F,0,F,1,0,0,0,0,0,0
206,1,0,0,0,0,1,0,1,0,12085705,"C[C@H]([C@](C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)O)(C(C)(C)O)O)O","O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@](C(O)(C)C)([C@H](O)C)O",,0,T,0,F,1,0,0,0,1,0,0
207,1,0,0,1,0,0,0,0,1,12085706,"C[C@H]([C@](C(=O)OCC1=CC[N+]2([C@H]1[C@@H](CC2)OC(=O)C=C(C)C)[O-])(C(C)(C)O)O)OC(=O)C","CC(=O)O[C@@H]([C@@](C(O)(C)C)(C(=O)OCC1=CC[N+]2([C@H]1[C@@H](CC2)OC(=O)C=C(C)C)[O-])O)C",,0,F,0,F,1,0,0,0,0,0,0
208,1,0,0,0,0,1,1,0,0,12299896,"C/C=C\1/C[C@H]([C@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)O)C","C/C=C\1/C[C@@H](C)[C@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3",,0,T,0,F,1,0,0,1,1,1,1
209,1,0,0,0,0,1,0,0,1,12308839,"C/C=C(\C)/C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@@H](C)O)(C(C)(C)O)O","C/C=C(/C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@](C(O)(C)C)([C@H](O)C)O)\C",,0,T,0,F,1,0,0,0,1,0,1
210,1,0,0,0,0,1,0,1,0,13195112,"C/C=C(\C)/C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)CO","C/C(=C\C)/C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)CO",,0,T,1,F,1,0,0,0,0,0,0
211,1,0,0,1,0,0,1,0,0,13258912,"C/C=C\1/CC(=C)[C@@](C(=O)OCC2=CC[N+]3([C@H]2[C@@H](CC3)OC1=O)[O-])(C)O","C/C=C\1/CC(=C)[C@@](C)(O)C(=O)OCC2=CC[N+]3([C@H]2[C@H](OC1=O)CC3)[O-]",,1,T,0,F,1,0,0,1,1,0,1
212,1,0,0,0,0,1,0,0,1,14313395,"C/C=C(/C)\C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@]3([C@H](C(=O)O[C@H]3C)C)O","C/C=C(\C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@]1(O)[C@H](C)OC(=O)[C@@H]1C)/C",,0,T,0,F,1,0,0,0,1,1,1
213,1,0,0,0,0,1,0,1,0,14313398,"C/C=C(\C)/C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)O","C/C=C(/C(=O)OCC1=CCN2[C@H]1[C@H](O)CC2)\C",,0,T,0,F,1,0,0,0,0,0,0
214,1,0,0,0,0,1,0,1,0,14589301,"C1CN2CC=C(C2C1O)COC(=O)C3=CC=CC=C3","OC1CCN2C1C(=CC2)COC(=O)c1ccccc1",,0,T,0,F,1,0,0,0,0,1,0
215,1,0,0,0,0,1,1,0,0,14680172,"CC[C@@]1([C@H](OC(=O)[C@H]([C@@](C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC1=O)(C(C)C)O)O)C)O","CC[C@@]1(O)C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC(=O)[C@@]([C@@H](C(=O)O[C@@H]1C)O)(O)C(C)C",,0,T,0,F,1,0,0,1,1,1,1
216,1,0,0,0,0,1,1,0,0,14825842,"C[C@@H]1C/C(=C\CO)/C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]1(C)O","OC/C=C/1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3",,0,T,0,F,1,0,0,1,1,1,1
217,1,0,0,0,0,1,1,0,0,14845641,"CCC(C)[C@]1([C@H](C(=O)O[C@@H]([C@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(CC)O)C)O)O","CCC([C@]1(O)C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@H](OC(=O)[C@@H]1O)C)(O)CC)C",,0,F,0,F,1,0,0,1,1,1,1
218,1,0,0,0,0,1,1,0,0,14845643,"CCC(C)[C@]1([C@H](C(=O)O[C@@H]([C@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C(C)C)O)C)O)O","CCC([C@]1(O)C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@H](OC(=O)[C@@H]1O)C)(O)C(C)C)C",,0,T,0,F,1,0,0,1,1,1,1
219,1,0,0,0,0,1,1,0,0,15060933,"C[C@@H]1[C@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC(=O)[C@](CC(=O)O1)(C(C)C)O)(C(C)C)O","O=C1O[C@H](C)[C@@](O)(C(C)C)C(=O)OCC2=CCN3[C@H]2[C@H](OC(=O)[C@@](C1)(O)C(C)C)CC3",,0,T,0,F,1,0,0,1,1,1,1
220,1,0,0,0,0,1,1,0,0,15060936,"CCC(C)[C@]1(CC(=O)O[C@@H]([C@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(CC)O)C)O","CCC([C@@]1(O)CC(=O)O[C@H](C)[C@@](O)(CC)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3)C",,0,F,1,F,1,0,0,1,1,1,0
221,1,0,0,0,0,1,0,1,0,15240755,"C[C@@H]([C@](C(C)C)(C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)O)O)OC(=O)C","CC(=O)O[C@H]([C@@](C(=O)OCC1=CCN2[C@H]1[C@H](O)CC2)(C(C)C)O)C",,0,T,0,F,1,0,0,0,1,0,0
222,1,0,0,0,0,1,0,0,1,15286355,"C[C@@H]([C@](C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)C=C(C)C)(C(C)(C)O)O)O","CC(=CC(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@](C(O)(C)C)([C@@H](O)C)O)C",,0,T,0,F,1,0,0,0,0,0,0
223,1,0,0,0,0,1,0,1,0,15286357,"CC(=CC(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)CO)C","OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)C=C(C)C",,0,T,0,F,1,0,0,0,0,0,0
224,1,0,0,0,0,1,0,0,1,15286358,"C[C@@H]([C@@](C(C)C)(C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)C=C(C)C)O)O","CC(=CC(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@@H](O)C)(C(C)C)O)C",,0,T,0,F,1,0,0,0,1,0,0
225,1,0,0,0,0,1,1,0,0,15558714,"CC1(CC(=O)OCC2=CCN3C2C(CC3)OC(=O)C1)O","O=C1OC2CCN3C2C(=CC3)COC(=O)CC(C1)(C)O",,0,T,1,F,1,0,0,1,1,1,1
226,1,0,0,1,0,0,0,0,0,15559784,"C1C[N+]2(CC=C(C2C1O)CO)[O-]","OCC1=CC[N+]2(C1C(O)CC2)[O-]",,0,F,0,F,1,0,1,0,0,0,0
227,1,0,0,0,0,1,0,0,1,15765644,"C/C=C(\C)/C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@H](C)OC(=O)C)(C(C)(C)O)O","C/C=C(/C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@](C(O)(C)C)([C@@H](OC(=O)C)C)O)\C",,0,T,0,F,1,0,0,0,1,0,1
228,1,0,0,0,0,1,0,1,0,15765645,"CC(=CC(=O)OCC1=CCN2[C@H]1[C@@H](CC2)O)C","CC(=CC(=O)OCC1=CCN2[C@H]1[C@H](O)CC2)C",,0,T,0,F,1,0,0,0,0,0,0
229,1,0,0,0,0,1,1,0,0,15967910,"C/C=C\1/C[C@H]([C@@](C(=O)OCC2=CC[N+]3(C2([C@@H](CC3)OC1=O)[O-])C)(C)O)C","C/C=C\1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N+]3(C2([C@H](OC1=O)CC3)[O-])C",,0,T,,,1,0,0,1,1,1,1
230,1,0,0,0,0,1,0,0,0,16687858,"CCCC[Sn]1(OCC2=CCN3[C@H]2[C@H](O1)CC3)CCCC","CCCC[Sn]1(CCCC)OCC2=CCN3[C@H]2[C@H](O1)CC3",,0,F,1,F,0,0,0,0,0,0,0
231,1,0,0,1,0,0,1,0,0,20056157,"C[C@H]1C(=O)OC2CC[N+]3([C@@H]2C(=CC3)COC(=O)[C@]([C@]1(C)O)(C)O)[O-]","O=C1OC2CC[N+]3([C@@H]2C(=CC3)COC(=O)[C@]([C@]([C@H]1C)(C)O)(C)O)[O-]",,0,F,1,F,1,0,0,1,1,1,1
232,1,0,0,0,0,1,1,0,0,20056173,"C[C@@H]1C[C@@]2(CC(=O)O[C@@H]3CC[N@+]4([C@@H]3C(=CC4)COC(=O)[C@]1(O2)C)CCl)C","ClC[N@@+]12CC[C@@H]3[C@H]2C(=CC1)COC(=O)[C@]1(O[C@](CC(=O)O3)(C)C[C@H]1C)C",,1,F,0,F,1,0,0,1,1,1,0
233,1,0,0,0,0,1,0,1,0,20106090,"C[C@H](C(C(C)C)(C(=O)OCC1=CC[N+]2([C@H]1[C@H](CC2)O)C)O)OC","CO[C@@H](C(C(=O)OCC1=CC[N+]2([C@H]1[C@@H](O)CC2)C)(C(C)C)O)C",,0,F,0,F,1,0,0,1,1,0,0
234,1,0,0,0,0,1,1,0,0,20839516,"C/C=C\1/C[C@H]([C@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)O)CO","C/C=C\1/C[C@@H](CO)[C@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3",,1,T,1,F,1,1,0,1,1,1,1
235,1,0,0,0,0,1,1,0,0,21124823,"CCC1(CO[C@@H]2CC[N+]3(C2(C(=CC3)COCC(C1=C)(C)O)O)C)C","CCC1(C)CO[C@@H]2CC[N+]3(C2(O)C(=CC3)COCC(C1=C)(C)O)C",,1,F,1,F,1,0,0,1,1,0,0
236,1,0,0,0,0,1,0,0,0,21586628,"C[N+]12CC[C@H]([C@H]1C(=CC2)CO)O","OCC1=CC[N+]2([C@H]1[C@H](O)CC2)C",,,,0,F,1,0,0,0,1,0,0
237,1,0,0,0,0,1,1,0,0,21586631,"C[C@@H]1C/C(=C\C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]1(C)O)/C","O=C1/C=C(/C)\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@H](O1)CC3",,0,T,1,F,1,0,0,1,1,1,1
238,1,0,0,0,0,1,1,0,0,21606568,"C/C=C\1/[C@H]([C@@H]([C@](C(=O)OCC2=CC[N+]3(C2([C@@H](CC3)OC1=O)[O-])C)(C)OC(=O)C)C)OC(=O)C","C/C=C/1\C(=O)O[C@@H]2CC[N+]3(C2([O-])C(=CC3)COC(=O)[C@@]([C@H]([C@@H]1OC(=O)C)C)(C)OC(=O)C)C",,1,F,0,F,1,0,0,1,1,1,0
239,1,0,0,0,0,1,0,0,0,21671366,"COCCOCO[C@@H]1CCN2[C@@H]1C(=CC2)COCC3=CC=CC=C3","COCCOCO[C@@H]1CCN2[C@@H]1C(=CC2)COCc1ccccc1",,0,F,0,F,0,0,0,0,0,1,0
240,1,0,0,0,0,1,0,0,0,21671448,"C1CN2CC=C([C@H]2[C@H]1OCC3=CC=CC=C3)COCC4=CC=CC=C4","c1ccc(cc1)COCC1=CCN2[C@@H]1[C@@H](OCc1ccccc1)CC2",,0,F,1,F,1,0,0,0,0,0,0
241,1,0,0,0,0,1,1,0,0,21762186,"CC(C)(C)OC(=O)N1CC(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC(=O)C1","O=C1CN(CC(=O)OCC2=CCN3[C@H]2[C@H](O1)CC3)C(=O)OC(C)(C)C",,0,F,1,F,1,0,0,1,1,1,0
242,1,0,0,0,0,1,1,0,0,21762187,"C1CN2CC=C3[C@@H]2[C@@H]1OC(=O)CNCC(=O)OC3","O=C1CNCC(=O)OCC2=CCN3[C@H]2[C@H](O1)CC3",,0,F,0,F,1,0,1,1,1,1,0
243,1,0,0,0,0,1,1,0,0,21762188,"C1C[NH+]2CC=C3[C@@H]2[C@@H]1OC(=O)CN(CC(=O)OC3)C(=O)CCC(=O)O","OC(=O)CCC(=O)N1CC(=O)O[C@@H]2CC[NH+]3[C@@H]2C(=CC3)COC(=O)C1",,,,1,F,1,0,0,1,1,1,0
244,1,0,0,0,0,1,1,0,0,21762361,"CC1(SCCCS1)CC2CC(=O)OCC3=CCN4[C@H]3[C@@H](CC4)OC(=O)C2","O=C1OCC2=CCN3[C@H]2[C@H](OC(=O)CC(C1)CC1(C)SCCCS1)CC3",,0,F,0,F,0,0,0,1,1,1,0
245,1,0,0,0,0,1,1,0,0,21762363,"C/C(=N/OCC(=O)O)/CC1CC(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC(=O)C1","OC(=O)CO/N=C(\CC1CC(=O)OCC2=CCN3[C@H]2[C@H](OC(=O)C1)CC3)/C",,0,F,1,F,1,0,0,1,1,1,0
246,1,0,0,0,0,1,1,0,0,23305243,"C/C=C/1\CC2(CO2)C(C(=O)OCC3=CCN4C3C(CC4)OC1=O)(C)O","C/C=C/1\CC2(OC2)C(C)(O)C(=O)OCC2=CCN3C2C(OC1=O)CC3",,0,T,0,F,1,0,0,1,1,1,1
247,1,0,0,0,0,1,0,0,0,23305253,"C[C@@H]1C/C(=C/CO)/C(=O)O[C@@H]2CC[N+]3([C@@]2(C(=CC3)COC(=O)[C@]1(C)O)O)C","OC/C=C\1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N+]3([C@]2([C@H](OC1=O)CC3)O)C",,1,T,0,F,1,0,0,1,1,1,1
248,1,0,0,0,0,1,1,0,0,23350898,"C/C=C/1\C[C@H]([C@@H](COCC2=CCN3[C@H]2[C@@H](CC3)OC1)C)C","C/C=C\1/CO[C@@H]2CCN3[C@@H]2C(=CC3)COC[C@H]([C@@H](C1)C)C",,0,F,1,F,1,0,0,1,1,0,0
249,1,0,0,0,0,1,0,1,0,23968120,"CC(C)C(C(C)C)(C(=O)OCC1=CCN2C1C(CC2)O)O","OC1CCN2C1C(=CC2)COC(=O)C(C(C)C)(C(C)C)O",,0,T,1,F,1,0,0,0,0,0,0
250,1,0,0,0,0,1,0,1,0,26879145,"C[C@H]([C@](C(C)C)(C(=O)OCC1=CC[N+]2([C@H]1[C@@H](CC2)O)C)O)O","O[C@@H]1CC[N+]2([C@@H]1C(=CC2)COC(=O)[C@]([C@H](O)C)(C(C)C)O)C",,0,F,1,F,1,0,0,0,1,0,0
251,1,0,0,1,0,0,1,0,0,38364109,"C[C@@H]1C(=O)OCC2=CC[N+]3([C@H]2[C@@H](CC3)OC(=O)[C@@]([C@@]1(C)O)(C)O)[O-]","O=C1OCC2=CC[N+]3([C@H]2[C@H](OC(=O)[C@@]([C@@]([C@@H]1C)(C)O)(C)O)CC3)[O-]",,0,F,0,F,1,0,0,1,1,1,1
252,1,0,0,1,0,0,0,1,0,44374956,"C1C[N+]2(CC=C(C2[C@@H]1O)COC(=O)CC3=CC=CC=C3)[O-]","O=C(Cc1ccccc1)OCC1=CC[N+]2(C1[C@H](O)CC2)[O-]",,0,F,0,F,1,0,0,0,0,0,0
253,1,0,0,0,0,1,1,0,0,53462637,"CCC(C)(C1(C(C(=O)OC(C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(C(C)C)O)C)O)O)O","CCC(C1(O)C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C(OC(=O)C1O)C)(O)C(C)C)(O)C",,0,T,0,F,1,0,0,1,1,1,1
254,1,0,0,0,0,1,1,0,0,56776345,"CC1C(=O)OCC2=CCN3C2C(CC3)OC(=O)C(C1(C)O)(C)O","O=C1OCC2=CCN3C2C(OC(=O)C(C(C1C)(C)O)(C)O)CC3",,0,T,1,F,1,1,0,1,1,1,1
255,1,0,0,0,0,1,0,1,0,71358863,"C1CN2CC=C([C@@H]2[C@H]1O)C(=O)O","O[C@H]1CCN2[C@@H]1C(=CC2)C(=O)O",,0,F,0,F,1,0,0,0,0,0,0
256,1,0,0,0,0,1,0,1,0,71440312,"CCC(C)(C(=O)OCC1=CCN2C1C(CC2)O)OC(=O)C","CCC(C(=O)OCC1=CCN2C1C(O)CC2)(OC(=O)C)C",,0,T,0,F,1,0,0,0,0,0,0
257,1,0,0,1,0,0,0,1,0,72701752,"CC(C(C)(C(C)(C(=O)OCC1=CC[N+]2([C@H]1[C@H](CC2)O)[O-])O)O)O","O[C@H]1CC[N+]2([C@@H]1C(=CC2)COC(=O)C(C(C(O)C)(O)C)(O)C)[O-]",,0,F,0,F,1,0,0,0,1,1,0
258,1,0,0,1,0,0,0,0,1,72702799,"C[C@@H]([C@@](C(C)C)(C(=O)OCC1=CC[N+]2([C@H]1[C@H](CC2)OC(=O)C)[O-])O)O","CC(=O)O[C@H]1CC[N+]2([C@@H]1C(=CC2)COC(=O)[C@@]([C@@H](O)C)(C(C)C)O)[O-]",,0,F,0,F,1,0,0,0,0,0,0
259,1,0,0,1,0,0,0,0,1,72702800,"CC(C)C(C(C)O)(C(=O)OCC1=CC[N+]2([C@H]1[C@H](CC2)OC(=O)C(C(C)C)(C(C)O)O)[O-])O","CC(C(C(=O)OCC1=CC[N+]2([C@H]1[C@H](CC2)OC(=O)C(C(O)C)(C(C)C)O)[O-])(C(O)C)O)C",,0,F,0,F,1,0,0,0,0,0,0
260,1,0,0,0,0,1,0,0,1,73759932,"C/C=C(\C)/C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)/C(=C/C)/C","C/C=C(/C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)/C(=C/C)/C)\C",,0,T,0,F,1,0,0,0,0,0,0
261,1,0,0,0,0,1,0,1,0,73893110,"CC(=O)OCC1=CCN2C1C(CC2)O","CC(=O)OCC1=CCN2C1C(O)CC2",,0,T,0,F,1,0,0,0,1,0,0
262,1,0,0,0,0,1,0,0,1,73893120,"CC(=O)OCC1=CCN2C1C(CC2)OC(=O)C","CC(=O)OCC1=CCN2C1C(CC2)OC(=O)C",,0,T,0,F,1,0,0,1,1,0,0
263,1,0,0,0,0,1,0,0,1,73893122,"CCCCCCC(=O)OCC1=CCN2C1C(CC2)OC(=O)CCCCCC","CCCCCCC(=O)OCC1=CCN2C1C(CC2)OC(=O)CCCCCC",,0,F,0,F,0,0,0,0,0,0,0
264,1,0,0,0,0,1,0,1,0,73893125,"CC1C(C(OC1=O)(CC(=O)OCC2=CCN3C2C(CC3)O)O)C","O=C(CC1(O)OC(=O)C(C1C)C)OCC1=CCN2C1C(O)CC2",,0,F,0,F,1,0,0,0,1,0,0
265,1,0,0,0,0,1,1,0,0,78358487,"C[C@@H]1C[C@@](C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]1(C)O)([C@@H](C)O)O","C[C@H]([C@@]1(O)C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3)O",,0,T,0,F,1,0,0,1,1,1,1
266,1,0,0,0,0,1,0,0,1,91735634,"C/C=C(\C)/C(=O)OC1CCN2C1C(=CC2)COC(=O)C","C/C=C(/C(=O)OC1CCN2C1C(=CC2)COC(=O)C)\C",,1,T,0,F,1,0,0,0,1,0,0
267,1,0,0,0,0,1,1,0,0,91746708,"C[C@H]1[C@@]2(O1)C[C@]3(CO3)[C@@](C(=O)OCC4=CCN5[C@H]4[C@@H](CC5)OC2=O)(C)O","O=C1O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@@]2(C[C@]31O[C@H]3C)OC2)(C)O",,0,T,0,F,1,0,0,1,1,1,1
268,1,0,0,0,0,1,1,0,0,91746994,"C/C=C\1/CC2(C(O2)(C(=O)OCC3=CCN4[C@@H]3[C@H](CC4)OC1=O)C)COC(=O)C","C/C=C\1/CC2(COC(=O)C)OC2(C)C(=O)OCC2=CCN3[C@@H]2[C@@H](OC1=O)CC3",,0,T,0,F,1,0,0,1,1,1,1
269,1,0,0,0,0,1,1,0,0,91746995,"C/C=C\1/C[C@H]([C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)O)COC(=O)C","C/C=C\1/C[C@@H](COC(=O)C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3",,0,T,0,F,1,0,0,1,1,1,1
270,1,0,0,0,0,1,1,0,0,91746999,"C/C=C/1\CC2(C(O2)(C(=O)OCC3=CCN4[C@@H]3[C@@H](CC4)OC1=O)C)CO","C/C=C/1\CC2(CO)OC2(C)C(=O)OCC2=CCN3[C@@H]2[C@H](OC1=O)CC3",,0,T,0,F,1,0,0,1,1,1,1
271,1,0,0,0,0,1,0,1,0,91747008,"CC[C@H](C)[C@@H](C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)O)O","CC[C@@H]([C@@H](C(=O)OCC1=CCN2[C@H]1[C@H](O)CC2)O)C",,0,T,0,F,1,0,0,0,0,0,0
272,1,0,0,0,0,1,1,0,0,91747009,"CC([C@]1(CC(=C)[C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)O)O)Cl","CC([C@@]1(O)CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3)Cl",,0,F,0,F,1,0,0,1,1,1,1
273,1,0,0,0,0,1,1,0,0,91747010,"C[C@H]([C@]1(C[C@@H](C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC1=O)C(C)C)O)O","CC([C@H]1C[C@](O)([C@H](O)C)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3)C",,0,T,0,F,1,0,0,1,1,1,1
274,1,0,0,0,0,1,0,1,0,91747011,"CC(C)[C@H](C(=O)O[C@@H]1CCN2C1C(=CC2)CO)O","OCC1=CCN2C1[C@@H](CC2)OC(=O)[C@@H](C(C)C)O",,0,F,0,F,1,0,0,0,0,0,0
275,1,0,0,0,0,1,0,0,1,91747348,"CCC(C)[C@@]([C@@H](C)O)(C(=O)OCC1=CCN2[C@H]1[C@H](CC2)OC(=O)C)O","CCC([C@](C(=O)OCC1=CCN2[C@H]1[C@H](CC2)OC(=O)C)([C@H](O)C)O)C",,0,T,0,F,1,0,0,0,1,0,0
276,1,0,0,0,0,1,0,0,1,91747349,"CC(=CC(=O)OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)C)C","CC(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)C=C(C)C",,0,F,0,F,1,0,0,0,1,0,0
277,1,0,0,0,0,1,0,0,1,91747351,"C[C@@H]([C@](C(=O)OCC1=CCN2C1[C@@H](CC2)OC(=O)C)(C(C)(C)O)O)OC(=O)C","CC(=O)O[C@@H]1CCN2C1C(=CC2)COC(=O)[C@](C(O)(C)C)([C@@H](OC(=O)C)C)O",,0,T,0,F,0,0,0,0,1,1,0
278,1,0,0,0,0,1,0,0,1,91747352,"C[C@@H](C(C(C)C)(C(=O)OCC1=CCN2C1[C@@H](CC2)OC(=O)C)O)OC(=O)C","CC(=O)O[C@@H]1CCN2C1C(=CC2)COC(=O)C([C@@H](OC(=O)C)C)(C(C)C)O",,0,T,0,F,1,0,0,0,0,1,0
279,1,0,0,0,0,1,0,1,0,91747355,"CCC(C)[C@@]([C@@H](C)O)(C(=O)OCC1=CCN2[C@H]1[C@H](CC2)O)O","CCC([C@](C(=O)OCC1=CCN2[C@H]1[C@@H](O)CC2)([C@H](O)C)O)C",,0,T,0,F,1,0,0,0,1,0,0
280,1,0,0,0,0,1,0,0,1,91747358,"C/C=C(\C)/C(=O)O[C@@H]1CCN2[C@H]1C(=CC2)COC(=O)C(CO)(C(C)O)O","C/C=C(/C(=O)O[C@@H]1CCN2[C@H]1C(=CC2)COC(=O)C(C(O)C)(CO)O)\C",,0,T,0,F,1,0,0,0,1,0,1
281,1,0,0,0,0,1,0,0,1,91747359,"C/C=C(/C)\C(=O)O[C@@H]1CCN2C1C(=CC2)COC(=O)C(CO)(C(C)O)O","C/C=C(\C(=O)O[C@@H]1CCN2C1C(=CC2)COC(=O)C(C(O)C)(CO)O)/C",,0,T,0,F,1,0,0,0,1,0,1
282,1,0,0,0,0,1,0,1,0,91747605,"C[C@@H]([C@@](C(C)C)(C(=O)OCC1=CCN2[C@H]1[C@H](CC2)O[Si](C)(C)C)O[Si](C)(C)C)OC(=O)CC(C)C","CC(CC(=O)O[C@H]([C@](C(=O)OCC1=CCN2[C@H]1[C@H](CC2)O[Si](C)(C)C)(C(C)C)O[Si](C)(C)C)C)C",,0,F,0,F,0,0,0,0,1,0,0
283,1,0,0,0,0,1,0,1,0,91747606,"C/C=C(\C)/C(=O)O[C@@H](C)[C@@](C(C)C)(C(=O)OCC1=CCN2[C@H]1[C@H](CC2)O[Si](C)(C)C)O[Si](C)(C)C","C/C=C(/C(=O)O[C@H]([C@](C(=O)OCC1=CCN2[C@H]1[C@H](CC2)O[Si](C)(C)C)(C(C)C)O[Si](C)(C)C)C)\C",,0,T,0,F,0,0,0,0,1,0,0
284,1,0,0,0,0,1,0,0,1,91747608,"C[C@@H]([C@@](C(C)C)(C(=O)OCC1=CCN2[C@H]1[C@H](CC2)OC(=O)C)O[Si](C)(C)C)O[Si](C)(C)C","CC(=O)O[C@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@@H](O[Si](C)(C)C)C)(C(C)C)O[Si](C)(C)C",,0,F,0,F,0,0,0,0,0,0,0
285,1,0,0,0,0,1,0,0,1,91747609,"C/C=C(/C)\C(=O)O[C@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@H](C)O[Si](C)(C)C)(C(C)C)O[Si](C)(C)C","C/C=C(\C(=O)O[C@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@@H](O[Si](C)(C)C)C)(C(C)C)O[Si](C)(C)C)/C",,1,T,0,F,0,0,0,0,0,0,0
286,1,0,0,0,0,1,0,0,1,91747611,"C/C=C(\C)/C(=O)O[C@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@H](C)O[Si](C)(C)C)(C(C)C)O[Si](C)(C)C","C/C=C(/C(=O)O[C@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@@H](O[Si](C)(C)C)C)(C(C)C)O[Si](C)(C)C)\C",,1,T,0,F,0,0,0,0,0,0,0
287,1,0,0,0,0,1,0,1,0,91748008,"C[C@@H]([C@](C(C)C)(C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)O)O)OC(=O)C=C(C)C","CC(=CC(=O)O[C@H]([C@@](C(=O)OCC1=CCN2[C@H]1[C@H](O)CC2)(C(C)C)O)C)C",,0,T,0,F,1,0,0,0,0,0,0
288,1,0,0,0,0,1,0,0,1,91748009,"C[C@@H]([C@@](C(C)C)(C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)/C=C(\C)/CO)O)O","OC/C(=C/C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@@H](O)C)(C(C)C)O)/C",,0,T,0,F,1,0,0,0,1,0,0
289,1,0,0,0,0,1,0,0,1,91748011,"C/C=C(\C)/C(=O)O[C@H]1CCN2[C@@H]1C(=CC2)COC(=O)C(C(C)O)O","C/C=C(/C(=O)O[C@H]1CCN2[C@@H]1C(=CC2)COC(=O)C(C(O)C)O)\C",,0,T,0,F,1,0,0,0,1,1,0
290,1,0,0,0,0,1,0,0,1,91748012,"CCC(C)C(=O)OCC1=CCN2[C@H]1[C@H](CC2)OC(=O)/C(=C/C)/C","CCC(C(=O)OCC1=CCN2[C@H]1[C@H](CC2)OC(=O)/C(=C/C)/C)C",,0,T,0,F,1,0,0,0,0,0,0
291,1,0,0,0,0,1,0,0,1,91749686,"C/C=C(\C)/C(=O)O[C@@H]1CCN2C1C(=CC2)COC(=O)C(C(C)(C)O)O","C/C=C(/C(=O)O[C@@H]1CCN2C1C(=CC2)COC(=O)C(C(O)(C)C)O)\C",,1,T,0,F,1,0,0,1,1,0,0
292,1,0,0,0,0,1,1,0,0,91749687,"C/C=C\1/C[C@@H]([C@](C(=O)OCC2=CCN3C2[C@H](CC3)OC1=O)(C)OC(=O)/C(=C\C)/C)C","C/C=C(\C(=O)O[C@]1(C)C(=O)OCC2=CCN3C2[C@@H](OC(=O)/C(=C\C)/C[C@@H]1C)CC3)/C",,0,T,0,F,1,0,0,1,1,1,0
293,1,0,0,0,0,1,0,1,0,91749688,"CCCCCCC(=O)OCC1=CCN2C1[C@@H](CC2)O","CCCCCCC(=O)OCC1=CCN2C1[C@H](O)CC2",,0,F,0,F,0,0,0,0,0,0,0
294,1,0,0,0,0,1,0,1,0,91749690,"CC(=C)CC(=O)OCC1=CCN2C1[C@@H](CC2)O","CC(=C)CC(=O)OCC1=CCN2C1[C@H](O)CC2",,0,T,0,F,1,0,0,0,0,0,0
295,1,0,0,0,0,1,1,0,0,91749691,"C[C@H]1[C@H]([C@](C(=O)OCC2=CCN3C2[C@H](CC3)OC(=O)C1=C)(C)OC(=O)C)C","CC(=O)O[C@]1(C)C(=O)OCC2=CCN3C2[C@@H](OC(=O)C(=C)[C@H]([C@H]1C)C)CC3",,0,T,1,F,1,0,0,1,1,1,0
296,1,0,0,0,0,1,1,0,0,91749692,"C[C@]1(C(=O)OCC2=CCN3C2[C@H](CC3)OC(=O)C([C@]1(C)O)(C)C)O","O=C1O[C@H]2CCN3C2C(=CC3)COC(=O)[C@@]([C@@](C1(C)C)(C)O)(C)O",,0,T,0,F,1,0,0,1,1,1,1
297,1,0,0,0,0,1,0,0,1,91751310,"C[C@@H]([C@@](C(C)C)(C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)C=C(C)C)O)OC(=O)C","CC(=O)O[C@H]([C@](C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)C=C(C)C)(C(C)C)O)C",,0,T,0,F,1,0,0,0,0,0,0
298,1,0,0,0,0,1,0,0,1,91751311,"C/C=C(\C)/C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@H](C)OC(=O)C)(C(C)C)O","C/C=C(/C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@@H](OC(=O)C)C)(C(C)C)O)\C",,0,T,1,F,1,0,0,0,1,0,0
299,1,0,0,0,0,1,0,1,0,91751312,"C[C@@H]([C@](C(C)C)(C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)O)O)OC(=O)C3=CC=CC=C3","O=C(c1ccccc1)O[C@H]([C@@](C(=O)OCC1=CCN2[C@H]1[C@H](O)CC2)(C(C)C)O)C",,0,T,0,F,1,0,0,0,0,0,0
300,1,0,0,0,0,1,0,1,0,91751313,"C[C@H]([C@@](C(C)C)(C(=O)OCC1=CCN2[C@@H]1[C@H](CC2)O)O)OC(=O)/C=C\C3=CC=CC=C3","O=C(O[C@@H]([C@](C(=O)OCC1=CCN2[C@@H]1[C@@H](O)CC2)(C(C)C)O)C)/C=C\c1ccccc1",,0,T,0,F,1,0,0,0,0,0,0
301,1,0,0,0,0,1,0,1,0,91751314,"C[C@@H]([C@](C(C)C)(C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)O)O)OC(=O)CCC3=CC=CC=C3","O=C(O[C@H]([C@@](C(=O)OCC1=CCN2[C@H]1[C@H](O)CC2)(C(C)C)O)C)CCc1ccccc1",,0,T,0,F,0,0,0,0,0,0,0
302,1,0,0,0,0,1,0,0,1,91751316,"CCC(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@H](C)O)(C(C)C)O","CCC(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@@H](O)C)(C(C)C)O",,0,T,0,F,1,0,0,0,1,0,0
303,1,0,0,0,0,1,0,1,0,91751437,"CC(=CC(=O)OCC1=CCN2[C@H]1[C@H](CC2)O)C","CC(=CC(=O)OCC1=CCN2[C@H]1[C@@H](O)CC2)C",,0,T,0,F,1,0,0,0,0,0,0
304,1,0,0,0,0,1,1,0,0,91752775,"C/C=C\1/CC2([C@@](O2)(C(=O)OCC3=CCN4[C@H]3[C@@H](CC4)OC1=O)C)C","C/C=C\1/CC2(C)O[C@@]2(C)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3",,0,T,0,F,1,0,0,1,1,1,1
305,1,0,0,0,0,1,0,0,0,91752874,"C1CN2CC=C(C2C1O)COC3=CC=CN3","OC1CCN2C1C(=CC2)COc1ccc[nH]1",,0,T,0,F,1,0,0,0,0,0,0
306,1,0,0,0,0,1,0,1,0,91752876,"COCC1=CCN2C1C(CC2)OC(=O)C3=CNC=C3","COCC1=CCN2C1C(CC2)OC(=O)c1c[nH]cc1",,0,F,0,F,1,0,0,1,1,0,0
307,1,0,0,0,0,1,0,1,0,91752877,"CCCCCC(=O)OCC1=CCN2C1[C@@H](CC2)O","CCCCCC(=O)OCC1=CCN2C1[C@H](O)CC2",,0,F,0,F,0,0,0,0,0,0,0
308,1,0,0,0,0,1,1,0,0,91753270,"CCC(C)C(=O)OC1(C(C(=O)OC2CCN3C2C(=CC3)COC(=O)C1(C)O)C)C","CCC(C(=O)OC1(C)C(C)C(=O)OC2CCN3C2C(=CC3)COC(=O)C1(C)O)C",,0,T,0,F,1,0,0,1,1,1,0
309,1,0,0,0,0,1,1,0,0,91753274,"CC(C)[C@@H]1C(=O)O[C@@H]2CCN3C2C(=CC3)COC(=O)[C@]([C@@]14CO4)(C)O","CC([C@@H]1C(=O)O[C@@H]2CCN3C2C(=CC3)COC(=O)[C@]([C@]21CO2)(C)O)C",,0,T,0,F,1,0,0,1,1,1,1
310,1,0,0,0,0,1,0,0,1,91753673,"C/C=C(/C)\C(=O)O[C@H]1CCN2[C@H]1C(=CC2)COC(=O)C=C(C)C","C/C=C(\C(=O)O[C@H]1CCN2[C@H]1C(=CC2)COC(=O)C=C(C)C)/C",,0,T,1,F,1,0,0,0,0,0,0
311,1,0,0,0,0,1,0,0,0,92167309,"C=CC[N+]12CC[C@H]([C@@H]1C(=CC2)CO)O","C=CC[N+]12CC[C@H]([C@@H]2C(=CC1)CO)O",,,,0,F,1,0,0,1,1,0,0
312,1,0,0,1,0,0,0,1,0,92170778,"C[C@H]([C@](C(C)C)(C(=O)OCC1=CC[N+]2([C@@H]1[C@@H](CC2)O)[O-])O)OC","CO[C@@H]([C@@](C(=O)OCC1=CC[N+]2([C@@H]1[C@H](O)CC2)[O-])(C(C)C)O)C",,0,F,0,F,1,0,0,0,0,0,0
313,1,0,0,0,0,1,0,1,0,92240481,"C[C@H]([C@@](C(C)C)(C(=O)OCC1=CCN2[C@@H]1[C@@H](CC2)O)O)O","O[C@@H]1CCN2[C@H]1C(=CC2)COC(=O)[C@@]([C@H](O)C)(C(C)C)O",,0,T,0,F,1,0,0,0,1,0,0
314,1,0,0,1,0,0,0,1,0,92245581,"C[C@H]([C@](C(C)C)(C(=O)OCC1=CC[N+]2([C@@H]1[C@@H](CC2)O)[O-])O)O","O[C@@H]1CC[N+]2([C@H]1C(=CC2)COC(=O)[C@]([C@H](O)C)(C(C)C)O)[O-]",,0,F,0,F,1,0,0,0,0,0,0
315,1,0,0,1,0,0,0,1,0,92245583,"C[C@@H]([C@@](C(C)C)(C(=O)OCC1=CC[N+]2([C@@H]1[C@@H](CC2)O)[O-])O)O","O[C@@H]1CC[N+]2([C@H]1C(=CC2)COC(=O)[C@@]([C@@H](O)C)(C(C)C)O)[O-]",,0,F,1,F,1,0,0,0,0,0,0
316,1,0,0,1,0,0,1,0,0,92245889,"C[C@@H]1C(=O)O[C@@H]2CC[N+]3([C@@H]2C(=CC3)COC(=O)[C@@]([C@@]1(C)O)(C)O)[O-]","O=C1O[C@@H]2CC[N+]3([C@@H]2C(=CC3)COC(=O)[C@@]([C@@]([C@@H]1C)(C)O)(C)O)[O-]",,0,F,1,F,1,0,0,1,1,1,1
317,1,0,0,1,0,0,1,0,0,92245890,"C[C@H]1C(=O)O[C@@H]2CC[N+]3([C@@H]2C(=CC3)COC(=O)[C@@]([C@@]1(C)O)(C)O)[O-]","O=C1O[C@@H]2CC[N+]3([C@@H]2C(=CC3)COC(=O)[C@@]([C@@]([C@H]1C)(C)O)(C)O)[O-]",,0,F,1,F,1,0,0,1,1,1,1
318,1,0,0,1,0,0,1,0,0,92245891,"C[C@@H]1C(=O)O[C@H]2CC[N+]3([C@@H]2C(=CC3)COC(=O)[C@@]([C@@]1(C)O)(C)O)[O-]","O=C1O[C@H]2CC[N+]3([C@@H]2C(=CC3)COC(=O)[C@@]([C@@]([C@@H]1C)(C)O)(C)O)[O-]",,0,F,1,F,1,0,0,1,1,1,1
319,1,0,0,1,0,0,1,0,0,92245892,"C[C@H]1C(=O)O[C@H]2CC[N+]3([C@@H]2C(=CC3)COC(=O)[C@@]([C@@]1(C)O)(C)O)[O-]","O=C1O[C@H]2CC[N+]3([C@@H]2C(=CC3)COC(=O)[C@@]([C@@]([C@H]1C)(C)O)(C)O)[O-]",,0,F,0,F,1,0,0,1,1,1,1
320,1,0,0,1,0,0,0,0,1,92254804,"C/C=C(/C)\C(=O)O[C@@H]1CC[N+]2([C@@H]1C(=CC2)COC(=O)[C@@]([C@@H](C)OC)(C(C)(C)O)O)[O-]","CO[C@@H]([C@@](C(O)(C)C)(C(=O)OCC1=CC[N+]2([C@H]1[C@@H](CC2)OC(=O)/C(=C\C)/C)[O-])O)C",,0,T,1,F,1,0,0,0,1,0,1
321,1,0,0,0,0,1,1,0,0,92258314,"C[C@@H]1C(=O)O[C@@H]2CC[N+]3([C@@H]2C(=CC3)COC(=O)[C@@]([C@@]1(C)O)(C)O)C","O=C1O[C@@H]2CC[N+]3([C@@H]2C(=CC3)COC(=O)[C@@]([C@@]([C@@H]1C)(C)O)(C)O)C",,0,F,1,F,1,0,0,1,1,1,1
322,1,0,0,0,0,1,1,0,0,92258315,"C[C@H]1C(=O)O[C@@H]2CC[N+]3([C@@H]2C(=CC3)COC(=O)[C@@]([C@@]1(C)O)(C)O)C","O=C1O[C@@H]2CC[N+]3([C@@H]2C(=CC3)COC(=O)[C@@]([C@@]([C@H]1C)(C)O)(C)O)C",,0,F,1,F,1,0,0,1,1,1,1
323,1,0,0,0,0,1,1,0,0,92258316,"C[C@@H]1C(=O)O[C@H]2CC[N+]3([C@@H]2C(=CC3)COC(=O)[C@@]([C@@]1(C)O)(C)O)C","O=C1O[C@H]2CC[N+]3([C@@H]2C(=CC3)COC(=O)[C@@]([C@@]([C@@H]1C)(C)O)(C)O)C",,0,F,1,F,1,0,0,1,1,1,1
324,1,0,0,0,0,1,1,0,0,92258317,"C[C@H]1C(=O)O[C@H]2CC[N+]3([C@@H]2C(=CC3)COC(=O)[C@@]([C@@]1(C)O)(C)O)C","O=C1O[C@H]2CC[N+]3([C@@H]2C(=CC3)COC(=O)[C@@]([C@@]([C@H]1C)(C)O)(C)O)C",,0,F,1,F,1,0,0,1,1,1,1
325,1,0,0,0,0,1,0,0,0,92258329,"CC[N+]12CC[C@H]([C@@H]1C(=CC2)CO)O","OCC1=CC[N+]2([C@@H]1[C@H](O)CC2)CC",,,,1,F,1,0,0,1,1,1,0
326,1,0,0,0,0,1,1,0,0,94908779,"C[C@@H]1C(=C)C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@@]([C@@]14CO4)(C)O","O=C1O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@@]([C@@]2([C@@H](C1=C)C)OC2)(C)O",,0,T,0,F,1,0,0,1,1,1,1
327,1,0,0,0,0,1,1,0,0,100854393,"C[C@@H]1C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC(=O)[C@@]([C@@]1(C)O)(C)O","O=C1OCC2=CCN3[C@H]2[C@H](OC(=O)[C@@]([C@@]([C@@H]1C)(C)O)(C)O)CC3",,0,T,0,F,1,1,0,1,1,1,1
328,1,0,0,0,0,1,1,0,0,100925967,"CC[C@H]1C[C@H]([C@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)OC(=O)C)C","CC[C@H]1C[C@@H](C)[C@](C)(OC(=O)C)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3",,0,F,0,F,1,0,0,1,1,1,0
329,1,0,0,0,0,1,1,0,0,100979629,"C[C@@H]1C(C(=C)C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]1(C)O[Si](C)(C)C(C)(C)C)C","C=C1C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@@H](C1C)C)(C)O[Si](C(C)(C)C)(C)C",,0,T,0,F,0,0,0,1,1,0,0
330,1,0,0,0,0,1,0,1,0,100979630,"C[C@H](C(C)C(=C)C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)CO[Si](C)(C)C(C)(C)C)[C@](C)(C(=O)OC(C)[Si](C)(C)C)O[Si](C)(C)C(C)(C)C","C=C(C([C@H]([C@](C(=O)OC([Si](C)(C)C)C)(O[Si](C(C)(C)C)(C)C)C)C)C)C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)CO[Si](C(C)(C)C)(C)C",,0,T,0,F,0,0,0,0,0,0,0
331,1,0,0,0,0,1,0,1,0,100979631,"C[C@H](C(C)C(=C)C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)CO)[C@](C)(C(=O)OC(C)[Si](C)(C)C)O[Si](C)(C)C(C)(C)C","OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)C(=C)C([C@H]([C@](C(=O)OC([Si](C)(C)C)C)(O[Si](C(C)(C)C)(C)C)C)C)C",,0,T,0,F,0,0,0,0,0,0,0
332,1,0,0,0,0,1,1,0,0,101134822,"CC(C)C1C[C@]([C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(CO)O)(C)O","OC[C@]1(O)C(=O)OCC2=CCN3[C@H]2[C@H](OC(=O)C(C[C@]1(C)O)C(C)C)CC3",,0,T,0,F,1,0,0,1,1,1,1
333,1,0,0,0,0,1,0,1,0,101244775,"CC[C@]([C@H](C)O)(C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)O)O","CC[C@@](C(=O)OCC1=CCN2[C@H]1[C@H](O)CC2)([C@@H](O)C)O",,0,T,0,F,1,0,0,0,1,0,0
334,1,0,0,0,0,1,0,1,0,101244776,"CCC(C(C)O)(C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)CO)O","CCC(C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)CO)(C(O)C)O",,0,T,1,F,1,0,0,0,1,0,0
335,1,0,0,0,0,1,0,0,0,101286187,"C[N@+]12CC[C@H]([C@]1(C(=CC2)CO)O)O","OCC1=CC[N@@+]2([C@@]1(O)[C@H](O)CC2)C",,1,F,0,F,0,0,0,1,1,0,0
336,1,0,0,0,0,1,0,1,0,101288094,"C1CN2CC=C([C@@H]2[C@@H]1O)COC(=O)CCCC(=O)OCC(Cl)(Cl)Cl","O=C(OCC1=CCN2[C@H]1[C@H](O)CC2)CCCC(=O)OCC(Cl)(Cl)Cl",,0,F,0,F,1,0,0,0,1,1,0
337,1,0,0,0,0,1,1,0,0,101289784,"C/C=C/1\C[C@H]([C@H](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)OC(=O)C)C","C/C=C/1\C[C@@H](C)[C@@H](OC(=O)C)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3",,0,T,0,F,1,0,0,1,1,1,0
338,1,0,0,0,0,1,0,0,1,101339003,"C/C=C(\C)/C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@]([C@H](C)O)(C(C)(C)O)O","C/C=C(/C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@](C(O)(C)C)([C@@H](O)C)O)\C",,0,T,0,F,1,0,0,0,1,0,1
339,1,0,0,1,0,0,0,0,1,101339004,"C[C@@H]([C@@](C(C)C)(C(=O)OCC1=CC[N+]2([C@H]1[C@@H](CC2)OC(=O)C)[O-])O)O","CC(=O)O[C@@H]1CC[N+]2([C@@H]1C(=CC2)COC(=O)[C@@]([C@@H](O)C)(C(C)C)O)[O-]",,0,F,0,F,1,0,0,0,0,0,0
340,1,0,0,1,0,0,0,0,1,101339005,"CC(C(C(=O)OCC1=CC[N+]2(C1C(CC2)OC(=O)C)[O-])(C(C)(C)O)O)O","CC(=O)OC1CC[N+]2(C1C(=CC2)COC(=O)C(C(O)(C)C)(C(O)C)O)[O-]",,0,F,0,F,1,0,0,0,0,0,0
341,1,0,0,1,0,0,0,0,1,101339006,"C/C=C(/C)\C(=O)O[C@@H]1CC[N+]2([C@@H]1C(=CC2)COC(=O)[C@@]([C@@H](C)O)(C(C)C)O)[O-]","C/C=C(\C(=O)O[C@@H]1CC[N+]2([C@@H]1C(=CC2)COC(=O)[C@@]([C@H](O)C)(C(C)C)O)[O-])/C",,0,T,0,F,1,0,0,0,0,0,0
342,1,0,0,1,0,0,0,1,0,101360987,"C[C@@H]([C@@](C(C)C)(C(=O)O[C@@H]1CC[N+]2([C@@H]1C(=CC2)CO)[O-])O)O","OCC1=CC[N+]2([C@H]1[C@@H](CC2)OC(=O)[C@@]([C@@H](O)C)(C(C)C)O)[O-]",,0,F,0,F,1,0,0,0,0,0,0
343,1,0,0,0,0,1,1,0,0,101526911,"C/C=C/1\C[C@H]([C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)OC(=O)C)C","C/C=C/1\C[C@@H](C)[C@@](C)(OC(=O)C)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)CC3",,0,T,0,F,1,0,0,1,1,1,0
344,1,0,0,0,0,1,0,1,0,101602684,"CCC(C)C(C(C)O)(C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)CO)O","OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)C(C(CC)C)(C(O)C)O",,0,T,0,F,1,0,0,0,1,0,0
345,1,0,0,0,0,1,0,0,1,101605596,"CC[C@]([C@@H](C)O)(C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)[C@](CC(=O)OC)(C(C)C)O)O","COC(=O)C[C@@](C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@H](O)C)(CC)O)(C(C)C)O",,0,T,0,F,1,0,0,0,1,0,0
346,1,0,0,1,0,0,0,0,1,101609673,"C/C=C(\C)/C(=O)O[C@@H]1CC[N+]2([C@@H]1C(=CC2)COC(=O)[C@@]([C@@H](C)O)(C(C)C)O)[O-]","C/C=C(/C(=O)O[C@@H]1CC[N+]2([C@@H]1C(=CC2)COC(=O)[C@@]([C@H](O)C)(C(C)C)O)[O-])\C",,0,T,0,F,1,0,0,0,0,0,0
347,1,0,0,1,0,0,0,0,1,101609674,"C[C@H]([C@@](C(C)C)(C(=O)OCC1=CC[N+]2([C@H]1[C@@H](CC2)OC(=O)C=C(C)C)[O-])O)O","CC(=CC(=O)O[C@@H]1CC[N+]2([C@@H]1C(=CC2)COC(=O)[C@@]([C@H](O)C)(C(C)C)O)[O-])C",,0,F,0,F,1,0,0,0,0,0,0
348,1,0,0,1,0,0,0,1,0,101613210,"CC[C@]([C@H](C)O)(C(=O)OCC1=CC[N+]2([C@H]1[C@@H](CC2)O)[O-])O","CC[C@@](C(=O)OCC1=CC[N+]2([C@H]1[C@H](O)CC2)[O-])([C@@H](O)C)O",,0,F,0,F,1,0,0,0,0,0,0
349,1,0,0,1,0,0,1,0,0,101613211,"C[C@@H]1[C@](C(=O)OCC2=CC[N+]3([C@H]2[C@@H](CC3)OC(=O)[C@](CC(=O)O1)(C(C)C)O)[O-])(C(C)C)O","O=C1O[C@H](C)[C@@](O)(C(C)C)C(=O)OCC2=CC[N+]3([C@H]2[C@H](OC(=O)[C@@](C1)(O)C(C)C)CC3)[O-]",,0,F,0,F,1,0,0,1,1,1,1
350,1,0,0,1,0,0,1,0,0,101616166,"CC[C@@]1([C@@H](OC(=O)C[C@@](C(=O)O[C@@H]2CC[N+]3([C@@H]2C(=CC3)COC1=O)[O-])(C(C)C)O)C)O","CC[C@@]1(O)C(=O)OCC2=CC[N+]3([C@H]2[C@@H](CC3)OC(=O)[C@@](CC(=O)O[C@H]1C)(O)C(C)C)[O-]",,0,F,0,F,1,0,0,1,1,1,1
351,1,0,0,0,0,1,1,0,0,101635998,"CC(=O)O[C@]1(CC(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC(=O)C1)C","CC(=O)O[C@]1(C)CC(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)C1",,0,F,0,F,1,0,0,1,1,1,0
352,1,0,0,0,0,1,0,1,0,101648301,"C[C@@H]([C@](C(C)C)(C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C","CC([C@@]([C@@H](O[Si](C)(C)C)C)(C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)O[Si](C)(C)C)O[Si](C)(C)C)C",,0,T,0,F,0,0,0,0,0,0,0
353,1,0,0,1,0,0,1,0,0,101664189,"CCC(C)[C@]1(CC(=O)O[C@@H]([C@](C(=O)OCC2=CC[N+]3([C@H]2[C@@H](CC3)OC1=O)[O-])(CC)O)C)O","CCC([C@@]1(O)CC(=O)O[C@H](C)[C@@](O)(CC)C(=O)OCC2=CC[N+]3([C@H]2[C@H](OC1=O)CC3)[O-])C",,0,F,0,F,1,0,0,1,1,1,0
354,1,0,0,0,0,1,0,0,1,101674026,"C[C@@H]([C@@](C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)CC(C)(C)O)(C(C)(C)O)O)O","O=C(CC(O)(C)C)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@](C(O)(C)C)([C@@H](O)C)O",,0,T,0,F,0,0,0,0,1,0,0
355,1,0,0,0,0,1,0,0,1,101674027,"C[C@@H]([C@@](C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)CC(C)(C)O)(C(C)(C)O)O)OC(=O)C","O=C(CC(O)(C)C)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@](C(O)(C)C)([C@@H](OC(=O)C)C)O",,0,T,0,F,0,0,0,0,1,0,0
356,1,0,0,1,0,0,0,0,1,101696510,"CC([C@](C(=O)OCC1=CC[N+]2([C@H]1[C@@H](CC2)OC(=O)/C=C(\C)/CO)[O-])(C(C)(C)O)O)O","OC/C(=C/C(=O)O[C@@H]1CC[N+]2([C@@H]1C(=CC2)COC(=O)[C@](C(O)(C)C)(C(O)C)O)[O-])/C",,0,F,0,F,1,0,0,0,1,0,0
357,1,0,0,0,0,1,0,1,0,101705400,"C/C=C(/CO)\C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)O","C/C=C(\C(=O)OCC1=CCN2[C@H]1[C@H](O)CC2)/CO",,0,T,0,F,1,0,0,0,1,0,0
358,1,0,0,0,0,1,0,0,1,101705715,"C/C=C(\C)/C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)/C(=C/C)/CO","C/C=C(/C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)/C(=C/C)/CO)\C",,0,T,0,F,1,0,0,0,0,0,0
359,1,0,0,0,0,1,1,0,0,101779180,"C/C=C/1\CO[C@@H]2CCN3[C@@H]2C(=CC3)COC[C@H]([C@@H]1C)C","C/C=C/1\CO[C@@H]2CCN3[C@@H]2C(=CC3)COC[C@H]([C@@H]1C)C",,0,F,0,F,1,0,0,1,1,0,0
360,1,0,0,0,0,1,0,0,1,101915797,"C/C=C(/C)\C(=O)O[C@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@H](C)OC)(C(C)(C)OC(=O)C)O","CO[C@H]([C@@](C(OC(=O)C)(C)C)(C(=O)OCC1=CCN2[C@H]1[C@H](CC2)OC(=O)/C(=C\C)/C)O)C",,0,T,0,F,1,0,0,0,0,0,0
361,1,0,0,0,0,1,0,0,1,101915798,"C[C@@H]([C@](C(=O)OCC1=CCN2C1[C@H](CC2)OC(=O)C)(C(C)(C)O)O)OC","CO[C@H]([C@@](C(O)(C)C)(C(=O)OCC1=CCN2C1[C@H](CC2)OC(=O)C)O)C",,0,T,0,F,1,0,0,1,1,0,0
362,1,0,0,1,0,0,0,0,1,101915799,"C/C=C(/C)\C(=O)O[C@H]1CC[N+]2([C@@H]1C(=CC2)COC(=O)[C@@]([C@H](C)OC)(C(C)(C)OC(=O)C)O)[O-]","CO[C@H]([C@@](C(OC(=O)C)(C)C)(C(=O)OCC1=CC[N+]2([C@H]1[C@H](CC2)OC(=O)/C(=C\C)/C)[O-])O)C",,0,T,0,F,1,0,0,0,0,0,0
363,1,0,0,0,0,1,1,0,0,101949642,"C[C@@H]1[C@H]([C@](C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]1(C)O)(CCl)O)C","ClC[C@@]1(O)C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@@H]([C@H]1C)C)(C)O",,0,T,0,F,1,0,0,1,1,1,1
364,1,0,0,0,0,1,1,0,0,102004942,"C/C=C\1/C[C@H]([C@@](C(=O)OCC2=CC[N+]3(C2([C@@H](CC3)OC1=O)[O-])C)(CO)O)C","C/C=C\1/C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CC[N+]3(C2([C@H](OC1=O)CC3)[O-])C",,0,T,0,F,1,0,0,1,1,1,1
365,1,0,0,1,0,0,0,1,0,102064908,"C[C@@H]([C@](C(C)C)(C(=O)OCC1=CC[N+]2([C@H]1[C@@H](CC2)O)[O-])O)OC(=O)C","CC(=O)O[C@H]([C@@](C(=O)OCC1=CC[N+]2([C@H]1[C@H](O)CC2)[O-])(C(C)C)O)C",,0,F,0,F,1,0,0,0,0,0,0
366,1,0,0,0,0,1,1,0,0,102090418,"C[C@H]1CC(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]1(C)O","O=C1O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]([C@H](C1)C)(C)O",,0,T,0,F,1,0,0,1,1,1,1
367,1,0,0,0,0,1,1,0,0,102092537,"C[C@]12CC(=O)O[C@@H]3CCN4[C@@H]3C(=CC4)COC(=O)[C@](O1)([C@@](C2)(C)O)C","O=C1O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@@]2(O[C@@](C1)(C)C[C@]2(C)O)C",,0,T,0,F,0,0,0,1,1,1,1
368,1,0,0,0,0,1,0,1,0,102115589,"CC(C)C(C(C)OC)(C(=O)OCC1=CC[N+]2(C1[C@H](CC2)O)CC3=C4[C@H](CCN4C=C3)O)O","COC(C(C(=O)OCC1=CC[N+]2(C1[C@@H](O)CC2)Cc1ccn2c1[C@@H](O)CC2)(C(C)C)O)C",,0,F,0,F,1,0,0,0,1,0,0
369,1,0,0,1,0,0,0,1,0,102115628,"C/C=C(\C)/C(=O)OCC(C)[C@@H]([C@@H](C)C(=O)OCC1=CC[N+]2([C@H]1[C@@H](CC2)O)[O-])O","C/C=C(/C(=O)OCC([C@@H]([C@H](C(=O)OCC1=CC[N+]2([C@H]1[C@H](O)CC2)[O-])C)O)C)\C",,0,F,0,F,1,0,0,0,0,0,0
370,1,0,0,0,0,1,0,1,0,102122201,"C[C@H]([C@@](C(C)C)(C(=O)OCC1=CCN2[C@H]1[C@H](CC2)O)OC(=O)C)OC","CO[C@@H]([C@](C(=O)OCC1=CCN2[C@H]1[C@@H](O)CC2)(C(C)C)OC(=O)C)C",,0,T,1,F,1,0,0,0,0,0,0
371,1,0,0,1,0,0,1,0,0,102144111,"C/C=C/1\CC(=C)[C@@](C(=O)OCC2=CC[N+]3([C@H]2[C@@H](CC3)OC1=O)[O-])(C)OC(=O)C","C/C=C/1\CC(=C)[C@@](C)(OC(=O)C)C(=O)OCC2=CC[N+]3([C@H]2[C@H](OC1=O)CC3)[O-]",,1,F,0,F,1,0,0,1,1,1,0
372,1,0,0,0,0,1,0,0,1,102207572,"C/C=C(/C)\C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@H](C)O)(C(C)(C)OC(=O)C)O","C/C=C(\C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@](C(OC(=O)C)(C)C)([C@@H](O)C)O)/C",,0,T,0,F,1,0,0,0,1,0,0
373,1,0,0,1,0,0,0,0,1,102228697,"CC(C)C(C(C)O)(C(=O)OCC1=CC[N+]2(C1C(CC2)OC(=O)C(C(C)C)(C(C)O)O)[O-])O","CC(C(C(=O)OCC1=CC[N+]2(C1C(CC2)OC(=O)C(C(O)C)(C(C)C)O)[O-])(C(O)C)O)C",,0,F,0,F,1,0,0,0,0,0,0
374,1,0,0,1,0,0,0,0,1,102228698,"C[C@H]([C@@](C(C)C)(C(=O)OCC1=CC[N+]2([C@@H]1[C@@H](CC2)OC(=O)C)[O-])O)O","CC(=O)O[C@@H]1CC[N+]2([C@H]1C(=CC2)COC(=O)[C@@]([C@H](O)C)(C(C)C)O)[O-]",,0,F,0,F,1,0,0,0,0,0,0
375,1,0,0,1,0,0,0,1,0,102228699,"CC(C(C)(C(C)(C(=O)OCC1=CC[N+]2(C1C(CC2)O)[O-])O)O)O","OC1CC[N+]2(C1C(=CC2)COC(=O)C(C(C(O)C)(O)C)(O)C)[O-]",,0,F,0,F,1,0,0,0,1,1,0
376,1,0,0,0,0,1,1,0,0,102445396,"C[C@@H]1C[C@@](C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@]1(CO)O)([C@@H](C)Cl)O","OC[C@]1(O)C(=O)OCC2=CCN3[C@H]2[C@H](OC(=O)[C@@](C[C@H]1C)(O)[C@H](Cl)C)CC3",,0,T,0,F,1,0,0,1,1,1,1
377,1,0,0,0,0,1,0,1,0,102478913,"C/C=C(/C)\C(=O)OCC1=CC[N+]23[C@H]1[C@H](CC2)OC3","C/C=C(\C(=O)OCC1=CC[N+]23[C@H]1[C@H](CC2)OC3)/C",,0,F,0,F,0,0,0,0,0,0,0
378,1,0,0,0,0,1,0,0,1,102588230,"CC1C(O1)(C)C(=O)O[C@@H]2CCN3[C@@H]2C(=CC3)COC(=O)[C@@]([C@@H](C)O)(C(C)C)O","CC([C@@](C(=O)OCC1=CCN2[C@H]1[C@@H](CC2)OC(=O)C1(C)OC1C)([C@H](O)C)O)C",,0,T,0,F,1,0,0,1,1,0,0
379,1,0,0,0,0,1,1,0,0,118701696,"C[C@@H]1[C@](C(=O)OCC2=CCN3C2C(CC3)OC(=O)[C@](CC(=O)O1)(C(C)C)O)(C(C)C)O","O=C1O[C@H](C)[C@@](O)(C(C)C)C(=O)OCC2=CCN3C2C(OC(=O)[C@@](C1)(O)C(C)C)CC3",,0,T,0,F,1,0,0,1,1,1,1
380,1,0,0,0,0,1,0,1,0,5380224,"C[C@H]([C@](C(C)C)(C(=O)OCC1=CCN2[C@H]1CCC2)O)OC","CO[C@@H]([C@@](C(=O)OCC1=CCN2[C@H]1CCC2)(C(C)C)O)C",,0,T,1,F,1,0,0,0,1,0,0
381,1,0,0,0,0,1,0,1,0,442706,"C[C@@H]([C@@](C(C)C)(C(=O)OCC1=CCN2[C@H]1CCC2)O)O","CC([C@@](C(=O)OCC1=CCN2[C@H]1CCC2)([C@@H](O)C)O)C",,0,T,1,F,1,0,0,0,1,0,0
382,1,0,0,1,0,0,0,1,0,32319,"C[C@@H](C(C(C)C)(C(=O)OCC1=CC[N@+]2(C1CCC2)[O-])O)O","CC(C(C(=O)OCC1=CC[N@+]2(C1CCC2)[O-])([C@@H](O)C)O)C",,0,F,0,F,1,0,0,0,1,0,0
383,1,0,0,0,0,1,0,1,0,158633,"CCC(C)C(C(C)O)(C(=O)OCC1=CCN2C1CCC2)O","CCC(C(C(=O)OCC1=CCN2C1CCC2)(C(O)C)O)C",,0,T,0,F,1,0,0,0,1,0,0
384,1,0,0,0,0,1,0,1,0,190040,"C[C@H]([C@@](C(C)C)(C(=O)OCC1=CCN2[C@H]1CCC2)OC(=O)C)OC(=O)C","CC(=O)O[C@@H]([C@](C(=O)OCC1=CCN2[C@H]1CCC2)(C(C)C)OC(=O)C)C",,0,F,0,F,0,0,0,0,1,0,0
385,1,0,0,0,0,1,0,0,1,5352405,"C/C=C(\C)/C(=O)OCC1=CCN2C1CC(C2)OC(=O)/C(=C/C)/C","C/C=C(/C(=O)OCC1=CCN2C1CC(C2)OC(=O)/C(=C/C)/C)\C",,1,F,0,F,1,0,0,0,0,0,0
386,1,0,0,1,0,0,0,1,0,11723103,"CC(C)C(C(C)OC)(C(=O)OCC1=CC[N+]2([C@H]1CCC2)[O-])O","COC(C(C(=O)OCC1=CC[N+]2([C@H]1CCC2)[O-])(C(C)C)O)C",,0,F,0,F,1,0,0,0,1,0,0
387,1,0,0,0,0,1,0,1,0,91747534,"C/C=C/C(=O)OCC1=CCN2[C@H]1CCC2","C/C=C/C(=O)OCC1=CCN2[C@H]1CCC2",,1,F,0,F,1,0,0,0,0,0,0
388,1,0,0,0,0,1,0,1,0,91747615,"C[C@H]([C@@](C(C)C)(C(=O)OCC1=CCN2[C@H]1CCC2)O[Si](C)(C)C)O[Si](C)(C)C","CC([C@]([C@H](O[Si](C)(C)C)C)(C(=O)OCC1=CCN2[C@H]1CCC2)O[Si](C)(C)C)C",,0,F,0,F,0,0,0,0,1,0,0
389,1,0,0,0,0,1,0,1,0,101044824,"C[C@H]([C@](C(=O)OCC1=CCN2[C@H]1CCC2)(C(C)(C)O)O)OC","CO[C@@H]([C@@](C(O)(C)C)(C(=O)OCC1=CCN2[C@H]1CCC2)O)C",,0,T,0,F,0,0,0,1,1,0,0
390,1,0,0,1,0,0,0,1,0,101044825,"C[C@H]([C@](C(=O)OCC1=CC[N+]2([C@H]1CCC2)[O-])(C(C)(C)O)O)OC","CO[C@@H]([C@@](C(O)(C)C)(C(=O)OCC1=CC[N+]2([C@H]1CCC2)[O-])O)C",,0,F,0,F,1,0,0,1,1,0,0
391,1,0,0,0,0,1,1,0,0,5281720,"C/C=C\1/C[C@H]([C@@](C(=O)OCC2=CCN3[C@H]2[C@@H]([C@@H](C3)O)OC1=O)(C)O)C","C/C=C\1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3[C@H]2[C@H](OC1=O)[C@H](O)C3",,0,T,0,F,1,0,0,1,1,1,1
392,1,0,0,0,0,1,1,0,0,5459074,"C/C=C/1\C[C@H]([C@@](C(=O)OCC2=CCN3C2[C@@H]([C@@H](C3)OC1=O)O)(C)O)C","C/C=C/1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3C[C@@H](OC1=O)[C@@H](O)C23",,0,T,0,F,1,0,0,1,1,1,1
393,0,1,0,0,0,1,1,0,0,5281752,"C/C=C\1/C[C@H]([C@@](C(=O)OC/C/2=C/CN(CC[C@H](C2=O)OC1=O)C)(C)O)C","C/C=C\1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN(CC[C@@H](OC1=O)C2=O)C",,1,T,0,F,1,0,0,1,1,1,1
394,0,1,0,0,0,1,1,0,0,5284440,"C[C@@H]1CC2([C@H](O2)C)C(=O)O[C@@H]3CCN(C/C=C(\C3=O)/COC(=O)[C@]1(C)O)C","CN1CC[C@H]2OC(=O)C3(O[C@@H]3C)C[C@H]([C@@](C(=O)OCC(=CC1)C2=O)(C)O)C",,1,T,0,F,1,1,0,1,1,1,1
395,0,1,0,0,0,1,0,0,0,5281740,"CN1CC[C@H](C(=O)/C(=C\C1)/CO)O","OCC1=CCN(C)CC[C@H](C1=O)O",,1,F,0,F,1,0,0,1,1,1,0
396,0,1,0,0,0,1,1,0,0,6441254,"C[C@@H]1C/C(=C\COC(=O)C)/C(=O)O[C@@H]2CCN(C/C=C(\C2=O)/COC(=O)[C@]1(C)O)C","CN1CC[C@H]2OC(=O)/C(=C/COC(=O)C)/C[C@H]([C@@](C(=O)OCC(=CC1)C2=O)(C)O)C",,1,T,0,F,1,0,0,1,1,1,1
397,0,1,0,0,0,1,1,0,0,22310115,"C[C@@H]1C[C@@](C(=O)OC2CCN(C/C=C(\C2=O)/COC(=O)[C@@]1(C)OC(=O)C)C)(C(C)O)O","CN1CCC2OC(=O)[C@](O)(C[C@H]([C@](C(=O)OCC(=CC1)C2=O)(C)OC(=O)C)C)C(O)C",,1,T,0,F,1,0,0,1,1,1,1
398,0,1,0,0,0,1,1,0,0,12041879,"C/C=C\1/C[C@H]([C@@](C(=O)OC/C/2=C/CN(CC[C@H](C2=O)OC1=O)C)(CO)O)C","C/C=C\1/C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN(CC[C@@H](OC1=O)C2=O)C",,1,T,0,F,1,0,0,1,1,1,1
399,0,1,0,0,0,1,1,0,0,44559774,"C[C@@H]1C/C(=C\CO)/C(=O)O[C@@H]2CCN(C/C=C(\C2=O)/COC(=O)[C@]1(C)O)C","OC/C=C/1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN(CC[C@@H](OC1=O)C2=O)C",,1,T,0,F,1,0,0,1,1,1,1
400,0,1,0,0,0,1,1,0,0,59827871,"C[C@H]1C[C@@]2([C@H](O2)C)C(=O)O[C@@H]3CCN(C/C=C(\C3=O)/COC(=O)C1(C)C)C","CN1CC[C@H]2OC(=O)[C@@]3(O[C@@H]3C)C[C@@H](C(C(=O)OCC(=CC1)C2=O)(C)C)C",,1,T,0,F,1,0,0,1,1,1,1
401,0,1,0,0,0,1,1,0,0,119243,"C[C@@H]1C[C@]2([C@@H](O2)C)C(=O)O[C@@H]3CCN(CC=C(C3=O)COC(=O)[C@]1(C)O)C","CN1CC[C@H]2OC(=O)[C@]3(O[C@H]3C)C[C@H]([C@@](C(=O)OCC(=CC1)C2=O)(C)O)C",,1,T,0,F,1,1,0,1,1,1,1
402,0,1,0,0,0,1,1,0,0,526538,"CC=C1CC(C(C(=O)OCC2=CCN(CCC(C2=O)OC1=O)C)(C)OC(=O)C)C","CC=C1CC(C)C(C)(OC(=O)C)C(=O)OCC2=CCN(CCC(OC1=O)C2=O)C",,1,T,0,F,1,0,0,1,1,1,1
403,0,1,0,0,0,1,1,0,0,3713463,""","CN1CCC2OC(=O)C(O)(CC(C(C(=O)OCC(=CC1)C2=O)(C)O)C)C(O)C",,0,T,0,F,1,0,0,1,1,1,1
404,0,1,0,0,0,1,1,0,0,4095226,"CC(=O)OC1(C(=O)OCC2=CCN(CCC(C2=O)OC(=O)C(=CC1(C)C)C=C)C)C","C=CC1=CC(C)(C)C(C)(OC(=O)C)C(=O)OCC2=CCN(CCC(OC1=O)C2=O)C",,1,T,0,F,1,0,0,1,1,1,0
405,0,1,0,0,0,1,1,0,0,5281726,"C[C@@H]1C[C@@](C(=O)O[C@@H]2CCN(C/C=C(\C2=O)/COC(=O)[C@]1(C)OC(=O)C)C)([C@@H](C)Cl)O","CN1CC[C@H]2OC(=O)[C@](O)(C[C@H]([C@@](C(=O)OCC(=CC1)C2=O)(C)OC(=O)C)C)[C@H](Cl)C",,1,T,1,F,1,0,0,1,1,1,0
406,0,1,0,0,0,1,1,0,0,5284370,"C[C@@H]1/C=C(\C(=O)O[C@@H]2CCN(C/C=C(\C2=O)/COC(=O)[C@@]1(C)OC(=O)C)C)/C=C","C=C/C/1=C/[C@@H](C)[C@](C)(OC(=O)C)C(=O)OCC2=CCN(CC[C@@H](OC1=O)C2=O)C",,1,T,1,F,1,0,0,1,1,1,1
407,0,1,0,0,0,1,1,0,0,6324941,"C[C@@H]1/C=C(\C(=O)OC2CCN(C/C=C(\C2=O)/COC(=O)[C@@]1(C)OC(=O)C)C)/C=C","C=C/C/1=C/[C@@H](C)[C@](C)(OC(=O)C)C(=O)OCC2=CCN(CCC(OC1=O)C2=O)C",,1,T,0,F,1,0,0,1,1,1,1
408,0,1,0,0,0,1,1,0,0,6428023,"C/C=C\1/C[C@@H]([C@](C(=O)OC/C/2=C/CN(CC[C@@H](C2=O)OC1=O)C)(C)OC(=O)C)C","C/C=C\1/C[C@H](C)[C@](C)(OC(=O)C)C(=O)OCC2=CCN(CC[C@H](OC1=O)C2=O)C",,1,T,0,F,1,0,0,1,1,1,1
409,0,1,0,0,0,1,1,0,0,6440206,"C[C@@H]1C[C@@]2([C@H](O2)C)C(=O)O[C@@H]3CCN(C/C=C(\C3=O)/COC(=O)[C@]1(C)OC(=O)C)C","CN1CC[C@H]2OC(=O)[C@@]3(O[C@@H]3C)C[C@H]([C@@](C(=O)OCC(=CC1)C2=O)(C)OC(=O)C)C",,1,T,0,F,1,0,0,1,1,1,1
410,0,1,0,0,0,1,1,0,0,6440207,"C/C=C/1\C[C@H]([C@](C(=O)OC/C/2=C/CN(CC[C@H](C2=O)OC1=O)C)(C)OC(=O)C)C","C/C=C/1\C[C@@H](C)[C@](C)(OC(=O)C)C(=O)OCC2=CCN(CC[C@@H](OC1=O)C2=O)C",,1,T,0,F,1,0,0,1,1,1,1
411,0,1,0,0,0,1,1,0,0,6440919,"CC/C/1=C/[C@H]([C@](C(=O)OC/C/2=C/CN(CC[C@H](C2=O)OC1=O)C)(C)OC(=O)C)C","CC/C/1=C/[C@@H](C)[C@](C)(OC(=O)C)C(=O)OCC2=CCN(CC[C@@H](OC1=O)C2=O)C",,1,T,0,F,1,0,0,1,1,1,1
412,0,1,0,0,0,1,1,0,0,6440920,"C/C=C\1/C[C@H]([C@](C(=O)OC/C/2=C/CN(CC[C@H](C2=O)OC1=O)C)(C)OC(=O)C)C","C/C=C\1/C[C@@H](C)[C@](C)(OC(=O)C)C(=O)OCC2=CCN(CC[C@@H](OC1=O)C2=O)C",,1,T,0,F,1,0,0,1,1,1,1
413,0,1,0,0,0,1,1,0,0,6440921,"C[C@@H]1CC2([C@H](O2)C)C(=O)O[C@@H]3CCN(C/C=C(\C3=O)/COC(=O)[C@@]1(C)OC(=O)C)C","CN1CC[C@H]2OC(=O)C3(O[C@@H]3C)C[C@H]([C@](C(=O)OCC(=CC1)C2=O)(C)OC(=O)C)C",,1,T,0,F,1,0,0,1,1,1,1
414,0,1,0,0,0,1,1,0,0,6441405,"C[C@@H]1CC(C(=O)O[C@@H]2CCN(C/C=C(\C2=O)/COC(=O)[C@]1(C)OC(=O)C)C)(C(C)O)O","CN1CC[C@H]2OC(=O)C(O)(C[C@H]([C@@](C(=O)OCC(=CC1)C2=O)(C)OC(=O)C)C)C(O)C",,1,T,0,F,1,0,0,1,1,1,1
415,0,1,0,0,0,1,1,0,0,6442432,"C[C@@H]1C[C@](C(=O)O[C@@H]2CCN(C/C=C(\C2=O)/COC(=O)[C@]1(C)O)C)(C(C)Cl)O","CN1CC[C@H]2OC(=O)[C@@](O)(C[C@H]([C@@](C(=O)OCC(=CC1)C2=O)(C)O)C)C(Cl)C",,1,T,0,F,1,0,0,1,1,1,1
416,0,1,0,0,0,1,0,0,1,10880125,"CC(=O)OC/C/1=C/CN(CC[C@H](C1=O)OC(=O)C)C","CN1CC[C@@H](OC(=O)C)C(=O)C(=CC1)COC(=O)C",,1,T,0,F,1,0,0,1,1,1,0
417,0,1,0,0,0,1,0,0,0,11111309,"CN1CCC(C(=O)/C(=C\C1)/COCC2=CC=CC=C2)OCC3=CC=CC=C3","CN1CCC(OCc2ccccc2)C(=O)C(=CC1)COCc1ccccc1",,1,F,1,F,1,0,0,1,1,1,0
418,0,1,0,0,0,1,1,0,0,12304138,"CC1C(C(=O)O[C@@H]2CCN(C/C=C(\C2=O)/COC(=O)C1(C)O)C)C(C)C","CN1CC[C@H]2OC(=O)C(C(C)C)C(C(C(=O)OCC(=CC1)C2=O)(C)O)C",,1,T,0,F,1,0,0,1,1,1,1
419,0,1,0,1,0,0,1,0,0,14313730,"C/C=C\1/C[C@H]([C@@](C(=O)OC/C/2=C/C[N+](CC[C@H](C2=O)OC1=O)(C)[O-])(C)O)C","C/C=C\1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N+](CC[C@@H](OC1=O)C2=O)([O-])C",,0,F,0,F,1,0,0,1,1,1,1
420,0,1,0,0,0,1,1,0,0,21606532,"C/C=C\1/[C@H]([C@@H]([C@](C(=O)OC/C/2=C/CN(CC[C@H](C2=O)OC1=O)C)(C)OC(=O)C)C)OC(=O)C","C/C=C/1\C(=O)O[C@@H]2CCN(C)CC=C(C2=O)COC(=O)[C@@]([C@H]([C@@H]1OC(=O)C)C)(C)OC(=O)C",,1,T,0,F,1,0,0,1,1,1,0
421,0,1,0,0,0,1,1,0,0,21627985,"C[C@@H]1C[C@@](C(=O)O[C@@H]2CCN(C/C=C(\C2=O)/COC(=O)[C@]1(C)OC(=O)C)C)(C(C)O)O","CN1CC[C@H]2OC(=O)[C@](O)(C[C@H]([C@@](C(=O)OCC(=CC1)C2=O)(C)OC(=O)C)C)C(O)C",,1,T,0,F,1,0,0,1,1,1,1
422,0,1,0,0,0,1,0,1,0,89233061,"CC1[C@](O1)(C[C@H](C)C(C)(C)C(=O)OC/C/2=C/CN(CC[C@H](C2=O)OC)C)CO","CO[C@@H]1CCN(C)CC=C(C1=O)COC(=O)C([C@H](C[C@@]1(CO)OC1C)C)(C)C",,1,F,0,F,1,0,0,1,1,1,0
423,0,1,0,0,0,1,1,0,0,91746989,"C[C@@H]1C[C@@]2([C@@H](O2)C)C(=O)O[C@H]3CCN(C/C=C(\C3=O)/COC(=O)[C@@]1(C)OC(=O)C)C","CN1CC[C@@H]2OC(=O)[C@@]3(O[C@H]3C)C[C@H]([C@](C(=O)OCC(=CC1)C2=O)(C)OC(=O)C)C",,1,T,0,F,1,0,0,1,1,1,1
424,0,1,0,0,0,1,1,0,0,91747000,"C[C@H]1C[C@](C(=O)O[C@H]2CCN(C/C=C(\C2=O)/COC(=O)[C@@]1(C)OC(=O)C)C)(C(C)OC(=O)C)O","CN1CC[C@@H]2OC(=O)[C@@](O)(C[C@@H]([C@](C(=O)OCC(=CC1)C2=O)(C)OC(=O)C)C)C(OC(=O)C)C",,1,T,0,F,1,0,0,1,1,1,0
425,0,1,0,0,0,1,1,0,0,91747001,"C[C@H]1C[C@](C(=O)O[C@H]2CCN(C/C=C(\C2=O)/COC(=O)[C@@]1(C)OC(=O)C)C)([C@H](C)O)O","CN1CC[C@@H]2OC(=O)[C@@](O)(C[C@@H]([C@](C(=O)OCC(=CC1)C2=O)(C)OC(=O)C)C)[C@@H](O)C",,1,T,0,F,1,0,0,1,1,1,1
426,0,1,0,0,0,1,1,0,0,91753267,"CC1C(C(C(=O)OC/C/2=C/CN(CC[C@@H](C2=O)OC1=O)C)(C)O)C","CN1CC[C@@H]2OC(=O)C(C)C(C(C(=O)OCC(=CC1)C2=O)(C)O)C",,1,T,1,F,1,0,0,1,1,1,1
427,0,1,0,0,0,1,1,0,0,91753269,"CC1C2C(=O)O[C@H]3CCN(C/C=C(\C3=O)/COC(=O)C1(OC2=O)C)C","CN1CC[C@@H]2OC(=O)C3C(=O)OC(C(=O)OCC(=CC1)C2=O)(C3C)C",,1,T,0,F,1,0,0,1,1,1,1
428,0,1,0,0,0,1,1,0,0,91753273,"C/C=C/1\C[C@@H]([C@@](C(=O)OC/C/2=C/CN(CC[C@@H](C2=O)OC1=O)C)(C)O)C","C/C=C/1\C[C@H](C)[C@@](C)(O)C(=O)OCC2=CCN(CC[C@H](OC1=O)C2=O)C",,1,T,0,F,1,0,0,1,1,1,1
429,0,1,0,0,0,1,1,0,0,91753275,"CCC12[C@H](C(C(=O)OC/C/3=C/CN(CC[C@@H](C3=O)OC1=O)C)(OC2=O)C)C","CCC12C(=O)O[C@H]3CCN(C)CC=C(C3=O)COC(=O)C([C@@H]2C)(OC1=O)C",,1,T,0,F,1,0,0,1,1,1,1
430,0,1,0,0,0,1,1,0,0,100925969,"C[C@H]1/C=C(/C(=O)O[C@@H]2CCN(C/C=C(\C2=O)/COC(=O)[C@@]1(C)OC(=O)C)C)\C(C)O","CN1CC[C@H]2OC(=O)/C(=C/[C@@H]([C@](C(=O)OCC(=CC1)C2=O)(C)OC(=O)C)C)/C(O)C",,1,T,0,F,1,0,0,1,1,1,1
431,0,1,0,0,0,1,1,0,0,101057317,"C/C=C/1\[C@H]([C@@H]([C@](C(=O)OC/C/2=C\CN(CC[C@@H](C2=O)OC1=O)C)(C)OC(=O)C)C)OC(=O)C","C/C=C\1/C(=O)O[C@H]2CCN(C)CC=C(C2=O)COC(=O)[C@@]([C@H]([C@@H]1OC(=O)C)C)(C)OC(=O)C",,1,T,1,F,1,0,0,1,1,1,0
432,0,1,0,0,0,1,1,0,0,101096098,"CC1/C=C(\C(=O)OC2CCN(C/C=C(/C2=O)\COC(=O)C1(C)OC(=O)C)C)/C=C","C=C/C/1=C/C(C)C(C)(OC(=O)C)C(=O)OCC2=CCN(CCC(OC1=O)C2=O)C",,1,T,0,F,1,0,0,1,1,1,1
433,0,1,0,0,0,1,1,0,0,101297578,"C/C=C/1\CC(C(C(=O)OC/C/2=C\CN(CC[C@H](C2=O)OC1=O)C)O)C","C/C=C/1\CC(C)C(O)C(=O)OCC2=CCN(CC[C@@H](OC1=O)C2=O)C",,1,T,0,F,1,0,0,1,1,1,1
434,0,1,0,0,0,1,1,0,0,101360988,"C/C=C\1/C[C@H]([C@@](C(=O)OC/C/2=C\CN(CC[C@H](C2=O)OC1=O)C)(C)OC(=O)C)C","C/C=C\1/C[C@@H](C)[C@@](C)(OC(=O)C)C(=O)OCC2=CCN(CC[C@@H](OC1=O)C2=O)C",,1,T,0,F,1,0,0,1,1,1,1
435,0,1,0,0,0,1,1,0,0,101543954,"CC(C)[C@H]1C(=O)O[C@@H]2CCN(C/C=C(\C2=O)/COC(=O)[C@]([C@@]13CO3)(C)O)C","CN1CC[C@H]2OC(=O)[C@H](C(C)C)[C@]3([C@@](C(=O)OCC(=CC1)C2=O)(C)O)OC3",,1,T,0,F,1,0,0,1,1,1,1
436,0,1,0,0,0,1,1,0,0,102059844,"C[C@@H]1C[C@@](C(=O)O[C@@H]2CCN(C/C=C(/C2=O)\COC(=O)[C@]1(C)O)C)([C@@H](C)O)O","CN1CC[C@H]2OC(=O)[C@](O)(C[C@H]([C@@](C(=O)OCC(=CC1)C2=O)(C)O)C)[C@H](O)C",,0,T,0,F,1,0,0,1,1,1,1
437,0,1,0,0,0,1,1,0,0,102496937,"C[C@@H]1CC(=O)[C@@]2([C@]1(C(=O)OC/C/3=C/CN(CCC(C3=O)OC2=O)C)C)C","CN1CCC2OC(=O)[C@]3(C)C(=O)C[C@H]([C@@]3(C(=O)OCC(=CC1)C2=O)C)C",,1,F,0,F,1,1,0,1,1,1,1
438,0,1,0,0,0,1,1,0,0,102502161,"C[C@@H]1[C@](O1)(C[C@@H](C)[C@](C)(C(=O)OC/C/2=C/CN(CC[C@H](C2=O)O)C)O)C(=O)OC","COC(=O)[C@]1(C[C@H]([C@](C(=O)OCC2=CCN(C)CC[C@H](C2=O)O)(O)C)C)O[C@@H]1C",,1,T,1,F,1,0,0,1,1,1,0
439,0,0,0,0,1,0,1,0,0,104764,"C[C@H]1C(=O)O[C@@H]2CCN3C2=C(COC(=O)[C@]([C@]1(C)O)(C)O)C=C3","O=C1O[C@@H]2CCn3c2c(COC(=O)[C@]([C@]([C@H]1C)(C)O)(C)O)cc3",,0,F,0,F,1,0,0,1,1,1,1
440,0,0,1,0,0,1,1,0,0,5281742,"C/C=C\1/C[C@H]([C@@](C(=O)OC[C@H]2CCN3[C@H]2[C@@H](CC3)OC1=O)(C)O)C","C/C=C\1/C[C@@H](C)[C@@](C)(O)C(=O)OC[C@@H]2[C@@H]3[C@H](OC1=O)CCN3CC2",,0,T,0,F,1,0,0,1,1,1,0
441,0,0,1,0,0,1,0,0,1,5281746,"C/C=C(/C)\C(=O)O[C@@H]1CCN2[C@@H]1[C@H](CC2)COC(=O)/C(=C\C)/CO","C/C=C(\C(=O)O[C@@H]1CCN2[C@@H]1[C@H](CC2)COC(=O)/C(=C\C)/CO)/C",,1,F,1,F,1,0,0,0,0,0,0
442,0,0,0,0,1,0,1,0,0,5281748,"C/C=C\1/C[C@H]([C@@](C(=O)OCC2=C3[C@H](CC(=O)N3C=C2)OC1=O)(C)OC(=O)C)C","C/C=C\1/C[C@@H](C)[C@@](C)(OC(=O)C)C(=O)OCc2c3[C@@H](OC1=O)CC(=O)n3cc2",,0,F,0,F,1,0,0,1,1,1,0
443,0,0,0,0,1,0,1,0,0,6440870,"C/C=C\1/C[C@H]([C@@](C(=O)OCC2=C3[C@@H](CCN3C=C2)OC1=O)(CO)O)C","C/C=C\1/C[C@@H](C)[C@](O)(CO)C(=O)OCc2c3[C@H](OC1=O)CCn3cc2",,0,F,0,F,1,0,0,1,1,1,1
444,0,0,0,0,1,0,1,0,0,6441180,"C/C=C/1\C[C@H]([C@@](C(=O)OCC2=C3[C@@H]([C@@H](CN3C=C2)O)OC1=O)(C)O)C","C/C=C/1\C[C@@H](C)[C@@](C)(O)C(=O)OCc2c3[C@H](OC1=O)[C@H](O)Cn3cc2",,0,F,0,F,1,0,0,1,1,1,1
445,0,0,1,0,0,1,1,0,0,168571,"CC1C(=O)OC2CCN3C2C4(COC(=O)C(C1(C)O)(C)O)C(C3)O4","O=C1OC2CCN3C2C2(COC(=O)C(C(C1C)(C)O)(C)O)OC2C3",,0,F,0,F,1,0,0,1,1,1,1
446,0,0,1,0,0,1,0,1,0,355833,"C[C@@H]([C@](C(C)C)(C(=O)OC1CCN2C1C(CC2)CO)O)O","OCC1CCN2C1C(CC2)OC(=O)[C@]([C@@H](O)C)(C(C)C)O",,0,T,0,F,1,0,0,0,1,1,0
447,0,0,1,1,0,0,0,0,1,5799962,"C/C=C(\C)/C(=O)OC1CC[N+]2(C1C(CC2)COC(=O)/C(=C/C)/CO)[O-]","C/C=C(/C(=O)OC1CC[N+]2(C1C(COC(=O)/C(=C/C)/CO)CC2)[O-])\C",,0,F,0,F,1,0,0,0,0,0,0
448,0,0,1,0,0,1,0,0,1,38350,"CC(=CC(=O)OC[C@H]1CCN2[C@H]1[C@@H](CC2)OC(=O)C=C(C)C)C","CC(=CC(=O)OC[C@H]1CCN2[C@H]1[C@@H](CC2)OC(=O)C=C(C)C)C",,,,0,F,0,0,0,0,1,0,0
449,0,0,1,0,0,1,0,0,1,148320,"C1CN2CC[C@@H]([C@@H]2[C@@H]1COC(=O)C3=CC4=C(C=C3)OCO4)OC(=O)C5=CC6=C(C=C5)OCO6","O=C(c1ccc2c(c1)OCO2)OC[C@@H]1CCN2[C@@H]1[C@H](CC2)OC(=O)c1ccc2c(c1)OCO2",,0,F,0,F,1,1,1,1,1,1,0
450,0,0,1,0,0,1,0,0,1,148321,"COC1=CC(=CC(=C1OC)OC)C(=O)OC[C@H]2CCN3[C@H]2[C@@H](CC3)OC(=O)C4=CC(=C(C(=C4)OC)OC)OC","COc1c(OC)cc(cc1OC)C(=O)OC[C@H]1CCN2[C@H]1[C@@H](CC2)OC(=O)c1cc(OC)c(c(c1)OC)OC",,0,F,0,F,1,0,0,0,1,0,0
451,0,0,1,0,0,1,0,0,1,148322,"CC(C)CC(=O)OC[C@H]1CCN2[C@H]1[C@@H](CC2)OC(=O)CC(C)C","CC(CC(=O)OC[C@H]1CCN2[C@H]1[C@@H](CC2)OC(=O)CC(C)C)C",,0,F,0,F,0,0,0,0,0,0,0
452,0,0,1,0,0,1,0,0,1,151347,"C1CN2CC[C@H]([C@H]2[C@H]1COC(=O)CC3=CC=CC=C3)OC(=O)CC4=CC=CC=C4","O=C(Cc1ccccc1)OC[C@H]1CCN2[C@H]1[C@@H](CC2)OC(=O)Cc1ccccc1",,0,F,0,F,1,0,0,0,0,0,0
453,0,0,1,0,0,1,0,0,1,151555,"CC(=O)OC[C@H]1CCN2[C@@H]1[C@H](CC2)OC(=O)C","CC(=O)OC[C@H]1CCN2[C@@H]1[C@H](CC2)OC(=O)C",,0,F,0,F,1,0,0,0,0,0,0
454,0,0,1,0,0,1,1,0,0,156034,"CC1C(=O)OCC2CCN3C2C(CC3)OC(=O)C(C1(C)O)C","O=C1OC2CCN3C2C(CC3)COC(=O)C(C(C1C)(C)O)C",,0,F,0,F,1,0,0,1,1,1,0
455,0,0,1,0,0,1,0,0,1,162396,"C1CN2CCC(C2C1COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]","O=C(c1ccc(cc1)[N+](=O)[O-])OCC1CCN2C1C(CC2)OC(=O)c1ccc(cc1)[N+](=O)[O-]",,1,F,0,F,1,1,1,1,1,0,0
456,0,0,0,0,1,0,0,0,0,178760,"CC1=CN(C(=NC1=O)OC2CCN3C2=C(C=C3)CO)[C@H]4C[C@@H]([C@H](O4)CO)O","OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)nc1OC1CCn2c1c(CO)cc2",,0,F,0,F,1,0,0,0,0,1,0
457,0,0,1,0,0,1,1,0,0,188434,"C[C@@H]1CC(=CC(=O)O[C@@H]2CCN3[C@@H]2[C@H](CC3)COC(=O)[C@]1(C)O)C","O=C1C=C(C)C[C@@H](C)[C@@](C)(O)C(=O)OC[C@@H]2[C@@H]3[C@H](O1)CCN3CC2",,0,F,0,F,1,0,0,1,1,1,0
458,0,0,0,0,1,0,0,0,1,194088,"CC(=CC(=O)OCC1=C2[C@@H](CCN2C=C1)OC(=O)C=C(C)C)C","CC(=CC(=O)OCc1ccn2c1[C@@H](CC2)OC(=O)C=C(C)C)C",,,,0,F,0,0,0,0,0,0,0
459,0,0,1,1,0,0,0,0,1,232738,"CC=C(C)C(=O)OC1CC[N+]2(C1C(CC2)COC(=O)C(=CC)CO)[O-]","CC=C(C(=O)OC1CC[N+]2(C1C(COC(=O)C(=CC)CO)CC2)[O-])C",,0,F,0,F,1,0,0,0,0,0,0
460,0,0,1,0,0,1,0,0,1,382065,"CC=C(C)C(=O)O[C@@H]1CCN2C1[C@H](CC2)COC(=O)C(=CC)CO","CC=C(C(=O)O[C@@H]1CCN2C1[C@H](CC2)COC(=O)C(=CC)CO)C",,1,F,1,F,1,0,0,0,0,0,0
461,0,0,1,0,0,1,1,0,0,419279,"CC1C(=O)OC2CC[N+]3(C2C4(COC(=O)C(C1(C)O)(C)O)C(C3)O4)C(=O)C(F)(F)F","O=C1OC2CC[N+]3(C2C2(COC(=O)C(C(C1C)(C)O)(C)O)OC2C3)C(=O)C(F)(F)F",,0,F,0,F,1,0,0,1,0,1,0
462,0,0,1,0,0,1,1,0,0,442746,"CC1C[C@@]2(CC(=O)O[C@@H]3CCN4[C@@H]3[C@H](CC4)COC(=O)[C@@]1(O2)C)C","O=C1O[C@@H]2CCN3[C@@H]2[C@H](CC3)COC(=O)[C@@]2(O[C@](C1)(C)CC2C)C",,,,0,F,0,0,0,1,1,1,0
463,0,0,1,0,0,1,1,0,0,442749,"C[C@@H]1[C@H](CC(=O)OC[C@H]2CCN3[C@H]2[C@@H](CC3)OC(=O)[C@](CC(=O)O1)(C(C)C)O)C(C)C","O=C1OC[C@H]2CCN3[C@H]2[C@@H](CC3)OC(=O)[C@@](CC(=O)O[C@@H]([C@H](C1)C(C)C)C)(O)C(C)C",,0,F,0,F,1,0,0,1,1,1,0
464,0,0,1,0,0,1,0,0,1,496831,"COC(=O)C1C2C(CCN2C(=O)C1O)OC(=O)C3=CC=CC=C3","COC(=O)C1C(O)C(=O)N2C1C(CC2)OC(=O)c1ccccc1",,0,F,0,F,1,0,0,0,1,1,0
465,0,0,1,0,0,1,1,0,0,526539,"CC1CC(=CC(=O)OC2CCN3C2C(CC3)COC(=O)C1(C)O)C","O=C1C=C(C)CC(C)C(C)(O)C(=O)OCC2C3C(O1)CCN3CC2",,0,F,1,F,1,0,0,1,1,1,0
466,0,0,0,0,1,0,1,0,0,4484072,"CC=C1CC(C(C(=O)OCC2=C3C(CC(=O)N3C=C2)OC1=O)(C)OC(=O)C)C","CC=C1CC(C)C(C)(OC(=O)C)C(=O)OCc2c3C(OC1=O)CC(=O)n3cc2",,0,F,0,F,1,0,0,1,1,1,0
467,0,0,0,0,1,0,0,0,1,4484073,"CC=C(C)C(=O)OC1CC(N2C1=C(C=C2)COC(=O)C(=CC)COC(=O)C=C(C)C)OC(=O)C","CC=C(C(=O)OCc1ccn2c1C(OC(=O)C(=CC)C)CC2OC(=O)C)COC(=O)C=C(C)C",,,,1,F,1,0,0,0,0,0,0
468,0,0,1,0,0,1,1,0,0,5232043,"CC1CC(C(=O)OC2CCN3C2C(CC3)COC(=O)C1(C)O)OC","COC1CC(C)C(C)(O)C(=O)OCC2C3C(OC1=O)CCN3CC2",,0,F,0,F,1,0,0,1,1,1,0
469,0,0,1,0,0,1,1,0,0,5281722,"C/C=C\1/CC(=C)[C@@](C(=O)OC[C@H]2[C@@H](CN3[C@H]2[C@@H](CC3)OC1=O)O)(C)O","C/C=C\1/CC(=C)[C@@](C)(O)C(=O)OC[C@@H]2[C@@H]3[C@H](OC1=O)CCN3C[C@H]2O",,1,F,0,F,1,0,0,1,1,1,1
470,0,0,1,0,0,1,1,0,0,5281745,"C/C=C\1/C[C@H]([C@@](C(=O)OC[C@H]2[C@@H](CN3[C@H]2[C@@H](CC3)OC1=O)O)(C)O)C","C/C=C\1/C[C@@H](C)[C@@](C)(O)C(=O)OC[C@@H]2[C@@H]3[C@H](OC1=O)CCN3C[C@H]2O",,0,F,0,F,1,0,0,1,1,1,1
471,0,0,0,0,1,0,0,0,1,5281749,"C/C=C(\C)/C(=O)O[C@@H]1C[C@@H](N2C1=C(C=C2)COC(=O)/C(=C/C)/COC(=O)C=C(C)C)OC(=O)C","C/C=C(/C(=O)OCc1ccn2c1[C@H](OC(=O)/C(=C/C)/C)C[C@@H]2OC(=O)C)\COC(=O)C=C(C)C",,,,0,F,1,0,0,0,0,0,0
472,0,0,1,0,0,1,1,0,0,5320938,"C[C@@H]1[C@@H]([C@@](C(=O)OC[C@H]2CCN3[C@H]2[C@@H](CC3)OC1=O)(C)O)C","O=C1O[C@@H]2CCN3[C@@H]2[C@H](CC3)COC(=O)[C@]([C@H]([C@H]1C)C)(C)O",,0,F,0,F,1,0,0,1,1,1,0
473,0,0,1,0,0,1,0,0,1,5321137,"C/C=C(\C)/C(=O)OC1CCN2C1C(CC2)COC(=O)/C(=C/C)/CO","C/C=C(/C(=O)OC1CCN2C1C(CC2)COC(=O)/C(=C/C)/CO)\C",,1,F,0,F,1,0,0,0,0,0,0
474,0,0,1,0,0,1,0,0,1,5352420,"C/C=C(/C)\C(=O)OC1CCN2C1C(CC2)COC(=O)/C(=C/C)/CO","C/C=C(\C(=O)OC1CCN2C1C(CC2)COC(=O)/C(=C/C)/CO)/C",,1,F,0,F,1,0,0,0,0,0,0
475,0,0,1,0,0,1,1,0,0,5916866,"C/C=C/1\CC(C(C(=O)OCC2C(CN3C2C(CC3)OC1=O)O)(C)O)C","C/C=C/1\CC(C)C(C)(O)C(=O)OCC2C3C(OC1=O)CCN3CC2O",,0,F,1,F,1,0,0,1,1,1,1
476,0,0,0,0,1,0,1,0,0,6124067,"C/C=C\1/CC(C(C(=O)OCC2=C3C(CC(=O)N3C=C2)OC1=O)(C)OC(=O)C)C","C/C=C\1/CC(C)C(C)(OC(=O)C)C(=O)OCc2c3C(OC1=O)CC(=O)n3cc2",,0,F,0,F,1,0,0,1,1,1,0
477,0,0,1,0,0,1,0,0,1,6428018,"C/C=C(\C)/C(=O)OC[C@H]1CCN2C1[C@@H](CC2)OC(=O)/C(=C/C)/C","C/C=C(/C(=O)OC[C@H]1CCN2C1[C@@H](CC2)OC(=O)/C(=C/C)/C)\C",,1,F,0,F,1,0,0,0,0,0,0
478,0,0,1,0,0,1,0,1,0,6428020,"C/C=C(\C)/C(=O)O[C@@H]1CCN2C1[C@H](CC2)CO","OC[C@H]1CCN2C1[C@@H](CC2)OC(=O)/C(=C/C)/C",,1,F,0,F,1,0,0,0,0,0,0
479,0,0,1,0,0,1,0,1,0,6428026,"C/C=C(/C)\C(=O)O[C@@H]1CCN2C1[C@H](CC2)CO","OC[C@H]1CCN2C1[C@@H](CC2)OC(=O)/C(=C\C)/C",,1,F,0,F,1,0,0,0,0,0,0
480,0,0,1,0,0,1,0,0,1,6428030,"C/C=C(\C)/C(=O)O[C@@H]1CCN2C1[C@H](CC2)COC(=O)/C(=C\C)/CO","C/C=C(/C(=O)O[C@@H]1CCN2C1[C@H](CC2)COC(=O)/C(=C\C)/CO)\C",,1,F,0,F,1,0,0,0,0,0,0
481,0,0,1,0,0,1,0,0,1,6429060,"C/C=C(/C)\C(=O)O[C@@H]1CCN2C1[C@H](CC2)COC(=O)C(CO)O","OCC(C(=O)OC[C@H]1CCN2C1[C@@H](CC2)OC(=O)/C(=C\C)/C)O",,1,F,0,F,1,0,0,0,1,0,0
482,0,0,1,0,0,1,0,0,1,6429061,"C/C=C(/C)\C(=O)O[C@@H]1CCN2C1[C@H](CC2)COC(=O)C(=C)O","C/C=C(\C(=O)O[C@@H]1CCN2C1[C@H](CC2)COC(=O)C(=C)O)/C",,1,F,0,F,1,0,0,0,0,0,0
483,0,0,1,0,0,1,0,0,1,6429062,"C/C=C(\C)/C(=O)O[C@@H]1CCN2C1[C@H](CC2)COC(=O)C(CO)O","OCC(C(=O)OC[C@H]1CCN2C1[C@@H](CC2)OC(=O)/C(=C/C)/C)O",,1,F,0,F,1,0,0,0,1,0,0
484,0,0,1,0,0,1,0,0,1,6429063,"C/C=C(\C)/C(=O)O[C@@H]1CCN2C1[C@H](CC2)COC(=O)C(=C)O","C/C=C(/C(=O)O[C@@H]1CCN2C1[C@H](CC2)COC(=O)C(=C)O)\C",,1,F,0,F,1,0,0,0,0,0,0
485,0,0,1,0,0,1,0,0,1,6440039,"C1CN2CC[C@H]([C@H]2[C@H]1COC(=O)/C=C/C3=CC=CC=C3)OC(=O)/C=C/C4=CC=CC=C4","O=C(OC[C@H]1CCN2[C@H]1[C@@H](CC2)OC(=O)/C=C/c1ccccc1)/C=C/c1ccccc1",,0,F,0,F,1,0,0,0,0,0,0
486,0,0,0,0,1,0,1,0,0,6441496,"C/C=C/1\C[C@H]([C@@](C(=O)OCC2=C3[C@@H](CCN3C=C2)OC1=O)(C)O)C","C/C=C/1\C[C@@H](C)[C@@](C)(O)C(=O)OCc2c3[C@H](OC1=O)CCn3cc2",,0,F,0,F,1,0,0,1,1,1,1
487,0,0,1,0,0,1,1,0,0,6442293,"C/C=C\1/C[C@H]([C@@](C(=O)OC[C@H]2[C@@H](CN3[C@H]2[C@@H](CC3)OC1=O)OC(=O)C)(C)O)C","C/C=C\1/C[C@@H](C)[C@@](C)(O)C(=O)OC[C@@H]2[C@@H]3[C@H](OC1=O)CCN3C[C@H]2OC(=O)C",,0,F,0,F,1,0,0,1,1,1,1
488,0,0,0,0,1,0,0,0,1,6442685,"C/C=C(\C)/C(=O)OC/C(=C/C)/C(=O)OCC1=C2[C@@H](C[C@@H](N2C=C1)OC(=O)C)OC(=O)/C(=C/C)/C","C/C=C(\C(=O)OCc1ccn2c1[C@H](OC(=O)/C(=C/C)/C)C[C@@H]2OC(=O)C)/COC(=O)/C(=C/C)/C",,,,0,F,1,0,0,0,0,1,0
489,0,0,0,0,1,0,0,0,1,6442687,"C/C=C(\C)/C(=O)OC/C(=C\C)/C(=O)OCC1=C2[C@@H](C[C@@H](N2C=C1)OC(=O)C)OC(=O)/C(=C/C)/C","C/C=C(/C(=O)OCc1ccn2c1[C@H](OC(=O)/C(=C/C)/C)C[C@@H]2OC(=O)C)\COC(=O)/C(=C/C)/C",,,,0,F,1,0,0,0,0,1,0
490,0,0,0,0,1,0,0,0,1,6445133,"C/C=C(\C)/C(=O)O[C@H]1CCN2C1=C(C=C2)COC(=O)[C@@]([C@H](C)OC)(C(C)(C)O)O","CO[C@H]([C@@](C(O)(C)C)(C(=O)OCc1ccn2c1[C@H](CC2)OC(=O)/C(=C/C)/C)O)C",,,,0,F,1,0,0,0,1,0,1
491,0,0,1,0,0,1,1,0,0,6912281,"C/C=C/1\C[C@H]([C@@](C(=O)OC[C@H]2CCN3[C@H]2[C@@H](CC3)OC1=O)(C)O)C","C/C=C/1\C[C@@H](C)[C@@](C)(O)C(=O)OC[C@@H]2[C@@H]3[C@H](OC1=O)CCN3CC2",,0,T,0,F,1,0,0,1,1,1,0
492,0,0,1,0,0,1,0,0,1,10086314,"COC(=O)[C@H]1CC(=O)N2[C@@H]1[C@@H](CC2)OC(=O)C3=CC=CC=C3","COC(=O)[C@H]1CC(=O)N2[C@@H]1[C@@H](CC2)OC(=O)c1ccccc1",,0,F,0,F,1,0,0,0,1,1,0
493,0,0,1,0,0,1,0,0,1,10344513,"CO[C@@H](C1=CC=CC=C1)C(=O)O[C@@H]2[C@H]([C@@H]3[C@H](CCN3C2=O)OC(=O)C4=CC=CC=C4)C(=O)OC","COC(=O)[C@H]1[C@@H]2[C@H](CCN2C(=O)[C@@H]1OC(=O)[C@H](c1ccccc1)OC)OC(=O)c1ccccc1",,0,F,0,F,1,0,0,0,1,1,0
494,0,0,1,0,0,1,0,0,1,10433214,"C/C=C(/C)\C(=O)O[C@@H]1CCN2[C@@H]1[C@H](CC2)COC(=O)/C(=C\C)/COC(=O)CC(C)(C)O","C/C=C(\C(=O)OC[C@H]1CCN2[C@H]1[C@@H](CC2)OC(=O)/C(=C\C)/C)/COC(=O)CC(O)(C)C",,1,F,0,F,1,0,0,1,1,0,0
495,0,0,1,0,0,1,1,0,0,10497165,"C[C@H]1C/C(=C\C(=O)O[C@@H]2CCN3[C@@H]2[C@H](CC3)COC(=O)[C@@]1(C)O)/C","O=C1/C=C(/C)\C[C@H](C)[C@](C)(O)C(=O)OC[C@@H]2[C@@H]3[C@H](O1)CCN3CC2",,0,F,1,F,1,0,0,1,1,1,0
496,0,0,1,0,0,1,1,0,0,10502318,"C[C@@H]1C[C@@]2(CC(=O)O[C@@H]3CC[N@+]4([C@@H]3[C@H](CC4)COC(=O)[C@]1(O2)C)CCl)C","ClC[N@+]12CC[C@H]3[C@@H]2[C@@H](CC1)OC(=O)C[C@@]1(O[C@@](C(=O)OC3)(C)[C@@H](C1)C)C",,,,0,F,1,0,0,1,1,1,0
497,0,0,1,0,0,1,1,0,0,10572291,"C[C@H]1CC(=O)O[C@@H]2CCN3[C@@H]2C(CC3)COC(=O)[C@]1(C)OCC4=CC=CC=C4","O=C1O[C@@H]2CCN3[C@@H]2C(CC3)COC(=O)[C@]([C@H](C1)C)(C)OCc1ccccc1",,0,F,0,F,0,0,0,1,1,0,0
498,0,0,1,0,0,1,1,0,0,10717096,"C[C@@H]1C/C(=C\C(=O)O[C@@H]2CC[N+]3([C@@H]2[C@H](CC3)COC(=O)[C@]1(C)O)CCl)/C","ClC[N+]12CC[C@H]3[C@@H]2[C@@H](CC1)OC(=O)/C=C(/C)\C[C@H]([C@@](C(=O)OC3)(C)O)C",,0,F,0,F,1,0,0,1,1,1,0
499,0,0,1,0,0,1,1,0,0,10738499,"C[C@@H]1C/C(=C\C(=O)O[C@@H]2CCN3[C@@H]2[C@H](CC3)COC(=O)[C@]1(C)OC(=O)C)/C","CC(=O)O[C@@]1(C)C(=O)OC[C@H]2CCN3[C@H]2[C@H](OC(=O)/C=C(\C[C@H]1C)/C)CC3",,0,F,0,F,1,0,0,1,1,1,0
500,0,0,1,1,0,0,1,0,0,10739462,"C[C@@H]1C/C(=C\C(=O)O[C@@H]2CC[N+]3([C@@H]2[C@H](CC3)COC(=O)[C@]1(C)OC(=O)C)[O-])/C","CC(=O)O[C@@]1(C)C(=O)OC[C@H]2CC[N+]3([C@H]2[C@H](OC(=O)/C=C(\C[C@H]1C)/C)CC3)[O-]",,0,F,0,F,1,0,0,1,1,1,0
501,0,0,0,0,0,1,1,0,0,10787656,"C[C@@H]1C/C(=C\C(=O)O[C@@H]2CCN3[C@@H]2[C@H](C[C@@H]3CC(=O)OC)COC(=O)[C@]1(C)O)/C","COC(=O)C[C@H]1C[C@H]2[C@H]3N1CC[C@H]3OC(=O)/C=C(\C[C@H]([C@@](C(=O)OC2)(C)O)C)/C",,0,F,0,F,1,0,0,1,1,1,0
502,0,0,1,0,0,1,0,0,0,11233017,"C1CN2CC[C@H]([C@H]2[C@H]1COCC3=CC=CC=C3)OCC4=CC=CC=C4","c1ccc(cc1)COC[C@H]1CCN2[C@H]1[C@H](OCc1ccccc1)CC2",,1,F,0,F,1,0,0,0,1,1,0
503,0,0,1,0,0,1,0,1,0,11303112,"C1CCOC(C1)O[C@H]2CCN3[C@@H]2[C@H]([C@H](C3)O)C(=O)O","O[C@H]1CN2[C@H]([C@H]1C(=O)O)[C@H](CC2)OC1CCCCO1",,,,0,F,1,0,0,0,0,0,0
504,0,0,1,0,0,1,0,1,0,11369281,"CCOC(=O)[C@H]1[C@H](CN2[C@H]1[C@H](CC2)OC(C)(C)C)O","CCOC(=O)[C@H]1[C@@H](O)CN2[C@H]1[C@H](CC2)OC(C)(C)C",,0,F,0,F,1,0,0,1,1,0,0
505,0,0,0,0,1,0,1,0,0,14287858,"C/C=C/1\CC(=C)[C@@](C(=O)OCC2=C3[C@@H](CCN3C=C2)OC1=O)(CO)O","C/C=C/1\CC(=C)[C@](O)(CO)C(=O)OCc2c3[C@H](OC1=O)CCn3cc2",,1,F,0,F,0,0,0,1,1,1,1
506,0,0,1,0,0,1,0,1,0,14589311,"CC(C)(C)[Si](C)(C)OC[C@]12[C@H](CN3[C@H]1[C@@H](CC3)OC2=O)C4=CC=CC=C4","O=C1O[C@H]2[C@H]3[C@]1(CO[Si](C(C)(C)C)(C)C)[C@H](CN3CC2)c1ccccc1",,,,1,F,0,0,0,0,1,0,0
507,0,0,1,0,0,1,0,1,0,14589313,"C1CN2C[C@@H]([C@]3([C@@H]2[C@@H]1OC3=O)COC(=O)C4=CC=CC=C4)C5=CC=CC=C5","O=C(c1ccccc1)OC[C@@]12C(=O)O[C@H]3[C@@H]1N(C[C@@H]2c1ccccc1)CC3",,0,F,0,F,1,0,1,0,1,0,0
508,0,0,1,1,0,0,0,0,1,14659818,"C/C=C(/C)\C(=O)O[C@@H]1CC[N+]2([C@@H]1[C@H](CC2)COC(=O)/C(=C/C)/CO)[O-]","C/C=C(\C(=O)O[C@@H]1CC[N+]2([C@@H]1[C@@H](COC(=O)/C(=C/C)/CO)CC2)[O-])/C",,0,F,0,F,1,0,0,0,0,0,0
509,0,0,1,0,0,1,0,1,0,16082455,"CCOC(=O)[C@@H]1[C@H]([C@@H]([C@@H]2N1C[C@@H]([C@H]2OCOC)OCOC)C(=O)OC)C(=O)OC","COCO[C@H]1CN2[C@H]([C@@H]1OCOC)[C@H]([C@@H]([C@H]2C(=O)OCC)C(=O)OC)C(=O)OC",,,,0,F,1,0,0,0,0,1,0
510,0,0,1,0,0,1,0,1,0,21144858,"COC(=O)C1(CCN2C1C(CC2)OCC3=CC=CC=C3[NH+](O)[O-])[Se]C4=CC=CC=C4","COC(=O)C1(CCN2C1C(CC2)OCc1ccccc1[NH+](O)[O-])[Se]c1ccccc1",,,,0,F,0,0,0,0,0,0,0
511,0,0,1,0,0,1,1,0,0,21581303,"C[C@H]1C/C(=C\C(=O)O[C@@H]2CC[NH+]3[C@@H]2[C@H](CC3)COC(=O)[C@@]1(C)O)/C","O=C1/C=C(/C)\C[C@H](C)[C@](C)(O)C(=O)OC[C@@H]2[C@@H]3[C@H](O1)CC[NH+]3CC2",,0,F,0,F,1,0,0,1,1,1,0
512,0,0,1,0,0,1,0,0,0,21626760,"C[Si](C)(C)CCOCOC[C@H]1CCN2[C@@H]1[C@H](CC2)OCOCC[Si](C)(C)C","C[Si](CCOCOC[C@H]1CCN2[C@@H]1[C@@H](OCOCC[Si](C)(C)C)CC2)(C)C",,,,0,F,0,0,0,0,0,0,0
513,0,0,1,0,0,1,0,1,0,21670206,"CC(C)(C)O[C@@H]1CN2[C@@H]([C@H]1OC(C)(C)C)[C@@H]([C@H](C2=O)O)C(=O)OC","COC(=O)[C@@H]1[C@@H](O)C(=O)N2[C@H]1[C@@H](OC(C)(C)C)[C@@H](C2)OC(C)(C)C",,,,0,F,1,0,0,0,1,0,0
514,0,0,1,0,0,1,1,0,0,22524559,"C/C=C/1\CC(=C)[C@@](C(=O)OC[C@H]2[C@@H](CN3[C@H]2[C@@H](CC3)OC1=O)O)(C)O","C/C=C/1\CC(=C)[C@@](C)(O)C(=O)OC[C@@H]2[C@@H]3[C@H](OC1=O)CCN3C[C@H]2O",,1,F,0,F,1,0,0,1,1,1,1
515,0,0,1,0,0,1,1,0,0,23305279,"C/C=C/1\C[C@H]([C@@](C(=O)OC[C@H]2[C@@H](CN3[C@H]2[C@@H](CC3)OC1=O)OC(=O)C)(C)O)C","C/C=C/1\C[C@@H](C)[C@@](C)(O)C(=O)OC[C@@H]2[C@@H]3[C@H](OC1=O)CCN3C[C@H]2OC(=O)C",,0,F,0,F,1,0,0,1,1,1,1
516,0,0,0,0,1,0,0,0,1,44148183,"C/C=C(\C)/C(=O)OC/C(=C\C)/C(=O)OCC1=C2C(CC(N2C=C1)OC(=O)C)OC(=O)/C(=C/C)/C","C/C=C(/C(=O)OCc1ccn2c1C(OC(=O)/C(=C/C)/C)CC2OC(=O)C)\COC(=O)/C(=C/C)/C",,,,0,F,1,0,0,0,0,1,0
517,0,0,1,0,0,1,1,0,0,46861355,"C/C=C\1/CC(C(C(=O)OCC2CCN3C2(C(CC3)OC1=O)C)(C)O)C","C/C=C\1/CC(C)C(C)(O)C(=O)OCC2C3(C(OC1=O)CCN3CC2)C",,0,T,0,F,1,0,0,1,1,1,0
518,0,0,1,0,0,1,1,0,0,51413602,"C/C=C/1\C[C@@H]([C@@H](C(=O)OC[C@H]2CC[NH+]3[C@H]2[C@@H](CC3)OC1=O)C)C","C/C=C/1\C[C@H](C)[C@H](C)C(=O)OC[C@@H]2[C@@H]3[C@H](OC1=O)CC[NH+]3CC2",,0,F,0,F,1,0,0,1,1,1,0
519,0,0,1,0,0,1,1,0,0,52340564,"CC=C1C[C@H]([C@](C(=O)OC[C@@H]2CC[NH+]3[C@@]2([C@@H](CC3)OC1=O)C)(C)O)C","CC=C1C[C@@H](C)[C@](C)(O)C(=O)OC[C@H]2[C@]3([C@H](OC1=O)CC[NH+]3CC2)C",,0,F,0,F,1,0,0,1,1,1,0
520,0,0,1,0,0,1,1,0,0,52340565,"CC=C1C[C@H]([C@](C(=O)OC[C@@H]2CCN3[C@@]2([C@@H](CC3)OC1=O)C)(C)O)C","CC=C1C[C@@H](C)[C@](C)(O)C(=O)OC[C@H]2[C@]3([C@H](OC1=O)CCN3CC2)C",,0,T,0,F,1,0,0,1,1,1,0
521,0,0,1,0,0,1,1,0,0,68380175,"C1CN2CCC3C2C1COC(=O)/C=C\CC(=O)O3","O=C1C/C=C\C(=O)OCC2C3C(O1)CCN3CC2",,,,0,F,1,0,0,1,1,1,0
522,0,0,0,0,1,0,0,0,1,74934296,"CC=C(C)C(=O)OCC(=CC)C(=O)OCC1=C2C(CC(N2C=C1)OC(=O)C)OC(=O)C(=CC)C","CC=C(C(=O)OCc1ccn2c1C(OC(=O)C(=CC)C)CC2OC(=O)C)COC(=O)C(=CC)C",,,,0,F,1,0,0,0,0,1,0
523,0,0,1,0,0,1,0,0,1,91746536,"C/C=C(\C)/C(=O)O[C@@H]1CCN2C1[C@H](CC2)COC(=O)/C=C(\C)/CO","OC/C(=C/C(=O)OC[C@H]1CCN2C1[C@@H](CC2)OC(=O)/C(=C/C)/C)/C",,1,F,0,F,1,0,0,0,0,0,0
524,0,0,1,0,0,1,1,0,0,91746606,"C[C@H]1C(CC(=O)O[C@H]2CCN3[C@H]2[C@@H](COC(=O)[C@@]1(C)O)[C@H](C3)OC)C","CO[C@H]1CN2[C@H]3[C@H]1COC(=O)[C@@](C)(O)[C@@H](C)C(CC(=O)O[C@H]3CC2)C",,0,F,0,F,1,0,0,1,1,1,0
525,0,0,1,0,0,1,1,0,0,91747012,"C[C@@H]1[C@@H](CC(=O)OC[C@@H]2CCN3C2[C@H](CC3)OC(=O)[C@@](CC(=O)O1)(C(C)C)O)C(C)C","O=C1OC[C@@H]2CCN3C2[C@H](CC3)OC(=O)[C@](CC(=O)O[C@@H]([C@@H](C1)C(C)C)C)(O)C(C)C",,0,F,0,F,1,0,0,1,1,1,0
526,0,0,1,0,0,1,0,0,1,91747610,"C/C=C(/C)\C(=O)O[C@H]1CCN2[C@@H]1[C@H](CC2)COC(=O)[C@@]([C@H](C)O[Si](C)(C)C)(C(C)C)O[Si](C)(C)C","C/C=C(\C(=O)O[C@H]1CCN2[C@@H]1[C@H](CC2)COC(=O)[C@@]([C@@H](O[Si](C)(C)C)C)(C(C)C)O[Si](C)(C)C)/C",,0,F,0,F,0,0,0,0,0,0,0
527,0,0,1,0,0,1,0,0,1,91747612,"C/C=C(\C)/C(=O)O[C@H]1CCN2[C@@H]1[C@H](CC2)COC(=O)[C@@]([C@H](C)O[Si](C)(C)C)(C(C)C)O[Si](C)(C)C","C/C=C(/C(=O)O[C@H]1CCN2[C@@H]1[C@H](CC2)COC(=O)[C@@]([C@@H](O[Si](C)(C)C)C)(C(C)C)O[Si](C)(C)C)\C",,0,F,0,F,0,0,0,0,0,0,0
528,0,0,1,0,0,1,0,1,0,91747938,"CC(=CC(=O)O[C@@H]1CCN2[C@@H]1[C@H](CC2)CO)C","OC[C@H]1CCN2[C@H]1[C@@H](CC2)OC(=O)C=C(C)C",,,,0,F,1,0,0,0,0,0,0
529,0,0,1,0,0,1,0,0,1,91747943,"CC(=CC(=O)OC[C@H]1CCN2[C@H]1[C@@H](CC2)OC(=O)C)C","CC(=O)O[C@@H]1CCN2[C@@H]1[C@@H](COC(=O)C=C(C)C)CC2",,,,0,F,1,0,0,0,1,0,0
530,0,0,1,0,0,1,0,1,0,91749424,"C1CN2CC[C@@H](C2[C@@H]1CO)OC(=O)CC3=CC=CC=C3","OC[C@@H]1CCN2C1[C@H](CC2)OC(=O)Cc1ccccc1",,0,F,0,F,1,0,0,0,0,0,0
531,0,0,1,0,0,1,0,0,1,91749426,"C[C@@H]([C@@](C)(C(=O)OC[C@H]1CCN2C1[C@@H](CC2)OC(=O)CC3=CC=CC=C3)O)O","O=C(Cc1ccccc1)O[C@@H]1CCN2C1[C@H](CC2)COC(=O)[C@]([C@@H](O)C)(O)C",,0,F,0,F,1,0,0,0,0,0,0
532,0,0,1,0,0,1,0,0,1,91749427,"C[C@@H]([C@@](C)(C(=O)OC[C@H]1CCN2C1[C@@H](CC2)OC(=O)CC3=CC=CC=C3)O)OC(=O)C","CC(=O)O[C@H]([C@@](C(=O)OC[C@H]1CCN2C1[C@@H](CC2)OC(=O)Cc1ccccc1)(O)C)C",,0,F,0,F,0,0,0,0,0,1,0
533,0,0,1,0,0,1,0,0,1,91749428,"C[C@@H]([C@@](C)(C(=O)OC[C@H]1CCN2C1[C@@H](CC2)OC(=O)CC3=CC=CC=C3)OC(=O)C)OC(=O)C","CC(=O)O[C@H]([C@@](C(=O)OC[C@H]1CCN2C1[C@@H](CC2)OC(=O)Cc1ccccc1)(OC(=O)C)C)C",,0,F,0,F,0,0,0,0,0,0,0
534,0,0,1,0,0,1,0,0,1,91749429,"CCC(C)C(=O)O[C@@H](C)[C@@](C)(C(=O)OC[C@H]1CCN2C1[C@@H](CC2)OC(=O)CC3=CC=CC=C3)O","CCC(C(=O)O[C@H]([C@@](C(=O)OC[C@H]1CCN2C1[C@@H](CC2)OC(=O)Cc1ccccc1)(O)C)C)C",,0,F,0,F,0,0,0,0,0,1,0
535,0,0,1,0,0,1,0,0,1,91749431,"C[C@@H]([C@@](C)(C(=O)OC[C@H]1CCN2C1[C@@H](CC2)OC(=O)C3=CC=CC=C3O)O)OC(=O)C","CC(=O)O[C@H]([C@@](C(=O)OC[C@H]1CCN2C1[C@@H](CC2)OC(=O)c1ccccc1O)(O)C)C",,0,F,0,F,1,0,0,1,1,1,0
536,0,0,1,0,0,1,0,0,1,91749432,"C[C@@H]([C@@](C)(C(=O)OC[C@H]1CCN2C1[C@@H](CC2)OC(=O)C3=CC=CC=C3O)OC(=O)C)OC(=O)C","CC(=O)O[C@@]([C@@H](OC(=O)C)C)(C(=O)OC[C@H]1CCN2C1[C@@H](CC2)OC(=O)c1ccccc1O)C",,0,F,0,F,1,0,0,0,0,0,0
537,0,0,1,0,0,1,0,0,1,91749433,"CCC(C)C(=O)O[C@@H]1CCN2C1[C@H](CC2)COC(=O)[C@](C)([C@H](C)O)O","CCC(C(=O)O[C@@H]1CCN2C1[C@H](CC2)COC(=O)[C@]([C@@H](O)C)(O)C)C",,0,F,0,F,1,0,0,0,0,0,0
538,0,0,1,0,0,1,0,0,1,91749434,"CCC(C)C(=O)O[C@@H]1CCN2C1[C@H](CC2)COC(=O)[C@](C)([C@H](C)OC(=O)C)O","CCC(C(=O)O[C@@H]1CCN2C1[C@H](CC2)COC(=O)[C@]([C@@H](OC(=O)C)C)(O)C)C",,0,F,0,F,1,0,0,0,0,0,0
539,0,0,1,0,0,1,0,0,1,91749435,"CCC(C)C(=O)O[C@@H]1CCN2C1[C@H](CC2)COC(=O)[C@](C)([C@H](C)OC(=O)C)OC(=O)C","CCC(C(=O)O[C@@H]1CCN2C1[C@H](CC2)COC(=O)[C@]([C@@H](OC(=O)C)C)(OC(=O)C)C)C",,0,F,0,F,1,0,0,0,0,0,0
540,0,0,1,0,0,1,0,0,1,91749436,"CCC(C)C(=O)O[C@@H]1CCN2C1[C@H](CC2)COC(=O)[C@](C)([C@H](C)OC(=O)C(C)CC)O","CCC(C(=O)O[C@@H]1CCN2C1[C@H](CC2)COC(=O)[C@]([C@@H](OC(=O)C(CC)C)C)(O)C)C",,0,F,0,F,1,0,0,0,0,0,0
541,0,0,1,0,0,1,0,1,0,91749439,"C[C@@H]([C@@](C)(C(=O)O[C@@H]1CCN2C1[C@H](CC2)CO)O)O","OC[C@H]1CCN2C1[C@@H](CC2)OC(=O)[C@]([C@@H](O)C)(O)C",,0,F,0,F,1,0,0,1,1,1,0
542,0,0,1,0,0,1,0,1,0,91749440,"C/C=C(\C)/C(=O)OC(C)C(C)(C(=O)O[C@@H]1CCN2C1[C@H](CC2)CO)O","OC[C@H]1CCN2C1[C@@H](CC2)OC(=O)C(C(OC(=O)/C(=C/C)/C)C)(O)C",,0,F,0,F,1,0,0,0,1,0,0
543,0,0,1,0,0,1,0,0,1,91749448,"C[C@H]([C@@](C)(C(=O)OC[C@H]1CCN2C1[C@@H](CC2)OC(=O)CC3=CC=CC=C3)OC(=O)C)OC(=O)C","CC(=O)O[C@@H]([C@@](C(=O)OC[C@H]1CCN2C1[C@@H](CC2)OC(=O)Cc1ccccc1)(OC(=O)C)C)C",,0,F,0,F,0,0,0,0,0,0,0
544,0,0,1,0,0,1,0,0,1,91749449,"C[C@H]([C@@](C)(C(=O)OC[C@H]1CCN2C1[C@@H](CC2)OC(=O)C3=CC=CC=C3O)O)O","O=C(c1ccccc1O)O[C@@H]1CCN2C1[C@H](CC2)COC(=O)[C@]([C@H](O)C)(O)C",,0,F,0,F,1,0,0,1,1,1,0
545,0,0,1,0,0,1,0,1,0,91749454,"CCC(C)C(=O)O[C@@H]1CCN2C1[C@H](CC2)CO","CCC(C(=O)O[C@@H]1CCN2C1[C@@H](CO)CC2)C",,0,F,0,F,1,0,0,0,0,0,0
546,0,0,1,0,0,1,0,0,1,91749889,"C/C=C(\C)/C(=O)O[C@@H]1CCN2C1[C@H](CC2)COC(=O)C(C)(C(C)OC(=O)/C(=C/C)/C)O","C/C=C(/C(=O)O[C@@H]1CCN2C1[C@H](CC2)COC(=O)C(C(OC(=O)/C(=C/C)/C)C)(O)C)\C",,0,F,0,F,1,0,0,0,0,0,0
547,0,0,1,0,0,1,0,0,1,91749890,"C/C=C(\C)/C(=O)O[C@@H]1CCN2C1[C@H](CC2)COC(=O)C(C)(C(C)O)O","C/C=C(/C(=O)O[C@@H]1CCN2C1[C@H](CC2)COC(=O)C(C(O)C)(O)C)\C",,0,F,0,F,1,0,0,0,1,0,0
548,0,0,1,0,0,1,0,1,0,91753677,"CC(C(=O)C)C(=O)O[C@@H]1CCN2[C@@H]1[C@H](C(C2)O)CO","OC[C@H]1C(O)CN2[C@H]1[C@@H](CC2)OC(=O)C(C(=O)C)C",,,,0,F,1,0,0,0,1,0,0
549,0,0,0,0,1,0,0,0,1,91991897,"CCNC(=O)OCC1=C2C(CCN2C=C1)OC(=O)NCC","CCNC(=O)OCc1ccn2c1C(CC2)OC(=O)NCC",,,,0,F,0,0,0,0,0,1,0
550,0,0,1,0,0,1,0,0,1,92019195,"CCOC(=O)C1C(CN2C1C(CC2)OC(=O)C)OC(=O)C","CCOC(=O)C1C(OC(=O)C)CN2C1C(CC2)OC(=O)C",,0,F,0,F,1,0,0,0,0,0,0
551,0,0,1,1,0,0,0,0,1,92233018,"C/C=C(\C)/C(=O)O[C@@H]1CC[N+]2([C@@H]1[C@@H](CC2)COC(=O)/C(=C\C)/CO)[O-]","C/C=C(/C(=O)O[C@@H]1CC[N+]2([C@@H]1[C@H](COC(=O)/C(=C\C)/CO)CC2)[O-])\C",,0,F,1,F,1,0,0,0,0,0,0
552,0,0,1,0,0,1,1,0,0,92246526,"C[C@@H]1C(=O)O[C@@H]2CC[N+]3([C@@H]2[C@@]4(COC(=O)[C@@]([C@@]1(C)O)(C)O)[C@@H](C3)O4)C(=O)C(F)(F)F","O=C1O[C@@H]2CC[N+]3([C@@H]2[C@]2(COC(=O)[C@@]([C@@]([C@@H]1C)(C)O)(C)O)O[C@@H]2C3)C(=O)C(F)(F)F",,0,F,0,F,1,0,0,1,0,1,0
553,0,0,1,1,0,0,0,0,1,92263445,"C/C=C(/C)\C(=O)O[C@@H]1CC[N+]2([C@@H]1[C@@H](CC2)COC(=O)/C(=C/C)/CO)[O-]","C/C=C(\C(=O)O[C@@H]1CC[N+]2([C@@H]1[C@H](COC(=O)/C(=C/C)/CO)CC2)[O-])/C",,0,F,0,F,1,0,0,0,0,0,0
554,0,0,1,0,0,1,1,0,0,92263446,"C/C=C/1\C[C@@H]([C@@](C(=O)OC[C@@H]2[C@@H](CN3[C@@H]2[C@@H](CC3)OC1=O)O)(C)O)C","C/C=C/1\C[C@H](C)[C@@](C)(O)C(=O)OC[C@H]2[C@H]3[C@H](OC1=O)CCN3C[C@H]2O",,0,F,0,F,1,0,0,1,1,1,1
555,0,0,0,0,1,0,0,0,0,93504569,"CCOCC1=C2[C@@H](CCN2C=C1)OCC","CCOCc1ccn2c1[C@H](OCC)CC2",,,,0,F,1,0,0,0,0,0,0
556,0,0,1,1,0,0,0,0,1,98567771,"C/C=C(/C)\C(=O)O[C@@H]1CC[N+]2([C@@H]1[C@@H](CC2)COC(=O)/C(=C\C)/CO)[O-]","C/C=C(\C(=O)O[C@@H]1CC[N+]2([C@@H]1[C@H](COC(=O)/C(=C\C)/CO)CC2)[O-])/C",,0,F,0,F,1,0,0,0,0,0,0
557,0,0,1,0,0,1,1,0,0,100916220,"C[C@@H]1CC(=CC(=O)O[C@@H]2CCN3[C@@H]2[C@H](CC3)COC(=O)[C@]1(C)OC(=O)C)C","CC(=O)O[C@@]1(C)C(=O)OC[C@H]2CCN3[C@H]2[C@H](OC(=O)C=C(C[C@H]1C)C)CC3",,0,F,0,F,1,0,0,1,1,1,0
558,0,0,1,0,0,1,1,0,0,100976533,"C[C@H]1CC(=CC(=O)O[C@@H]2CCN3[C@@H]2[C@H](CC3)COC(=O)[C@@]1(C)O)C","O=C1C=C(C)C[C@H](C)[C@](C)(O)C(=O)OC[C@@H]2[C@@H]3[C@H](O1)CCN3CC2",,0,F,1,F,1,0,0,1,1,1,0
559,0,0,1,0,0,1,1,0,0,101297661,"CC(C)[C@H]1C(=O)O[C@@H]2CCN3[C@@H]2[C@H](COC(=O)[C@]([C@]1(C)O)(C)O)[C@H](C3)O","O[C@H]1CN2[C@@H]3[C@@H]1COC(=O)[C@](C)(O)[C@]([C@H](C(=O)O[C@@H]3CC2)C(C)C)(C)O",,0,F,1,F,1,0,0,1,1,1,1
560,0,0,0,0,1,0,1,0,0,101324857,"C[C@H]1[C@H]([C@@](C(=O)OCC2=C3[C@@H](CC(=O)N3C=C2)OC(=O)C1=C)(C)OC(=O)C)C","CC(=O)O[C@@]1(C)C(=O)OCc2ccn3c2[C@H](OC(=O)C(=C)[C@H]([C@H]1C)C)CC3=O",,0,F,0,F,1,0,0,1,1,1,0
561,0,0,1,1,0,0,1,0,0,101360989,"C/C=C\1/C[C@H]([C@@](C(=O)OC[C@@H]2CC[N+]3([C@H]2[C@@H](CC3)OC1=O)[O-])(C)O)C","C/C=C\1/C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2[C@@H]3[C@H](OC1=O)CC[N+]3([O-])CC2",,0,F,0,F,1,0,0,1,1,1,1
562,0,0,0,0,1,0,1,0,0,101526912,"C/C=C\1/C[C@H]([C@@](C(=O)OCC2=C3[C@@H](CC(=O)N3C=C2)OC1=O)(C)O)C","C/C=C\1/C[C@@H](C)[C@@](C)(O)C(=O)OCc2c3[C@H](OC1=O)CC(=O)n3cc2",,0,F,0,F,1,0,0,1,1,1,1
563,0,0,0,0,1,0,1,0,0,101689715,"C/C=C/1\CC(=C)[C@@](C(=O)OCC2=C3[C@@H](CCN3C=C2)OC1=O)(C)O","C/C=C/1\CC(=C)[C@@](C)(O)C(=O)OCc2c3[C@H](OC1=O)CCn3cc2",,1,F,0,F,1,0,0,1,1,1,1
564,0,0,1,0,0,1,1,0,0,101793685,"C[C@H]1CC2([C@@H]([C@]1(C(=O)OCC3CCN4[C@H]3C(CC4)OC2=O)C)C)O","O=C1OC2CCN3[C@@H]2C(CC3)COC(=O)[C@@]2([C@H](C1(O)C[C@@H]2C)C)C",,,,1,F,1,0,0,1,1,1,0
565,0,0,0,0,1,0,1,0,0,101992452,"CC(C)[C@@H]1C(=O)O[C@@H]2CCN3C2=C(COC(=O)[C@]([C@@]1(C)O)(C)O)C=C3","CC([C@@H]1C(=O)O[C@@H]2CCn3c2c(COC(=O)[C@]([C@@]1(C)O)(C)O)cc3)C",,0,F,0,F,1,0,0,1,1,1,1
566,0,0,1,0,0,1,0,0,1,102207684,"CCC(C)C(=O)O[C@@H]1CCN2[C@@H]1[C@H](CC2)COC(=O)[C@](C)([C@@H](C)O)O","CCC(C(=O)O[C@@H]1CCN2[C@@H]1[C@H](CC2)COC(=O)[C@]([C@H](O)C)(O)C)C",,0,F,0,F,1,0,0,0,0,0,0
567,0,0,1,0,0,1,0,1,0,102207687,"C/C=C(\C)/C(=O)OC(C)C(C)(C(=O)O[C@@H]1CCN2[C@@H]1[C@H](CC2)CO)O","OC[C@H]1CCN2[C@H]1[C@@H](CC2)OC(=O)C(C(OC(=O)/C(=C/C)/C)C)(O)C",,0,F,0,F,1,0,0,0,1,0,0
568,0,0,1,0,0,1,0,1,0,102372765,"CCOC(=O)[C@H]1[C@@H]2[C@H](CCN2C(=O)[C@@H]1O)OC3CCCCO3","CCOC(=O)[C@@H]1[C@@H](O)C(=O)N2[C@H]1[C@H](CC2)OC1CCCCO1",,,,0,F,1,0,0,0,1,1,0
569,0,0,1,0,0,1,0,1,0,102372767,"CCOC(=O)[C@@H]1[C@H](CN2[C@H]1[C@H](CC2)OC3CCCCO3)O","CCOC(=O)[C@@H]1[C@@H](O)CN2[C@H]1[C@H](CC2)OC1CCCCO1",,,,0,F,1,0,0,0,0,0,0
570,0,0,1,0,0,1,1,0,0,102442056,"CC[C@]1(C(=O)O[C@@H]2CCN3C2[C@H](COC(=O)[C@H]([C@]1(C)O)C)[C@H](C3)O)C","CC[C@@]1(C)C(=O)O[C@@H]2CCN3C2[C@H](COC(=O)[C@H]([C@]1(C)O)C)[C@H](C3)O",,0,F,0,F,1,0,0,1,1,1,0
571,0,0,1,0,0,1,1,0,0,102442057,"CC[C@]1(C(=O)O[C@@H]2CCN3C2[C@H](COC(=O)[C@H]([C@]1(C)O)C)[C@H](C3=O)O)C","CC[C@@]1(C)C(=O)O[C@@H]2CCN3C2[C@H](COC(=O)[C@H]([C@]1(C)O)C)[C@H](C3=O)O",,,,0,F,1,0,0,1,1,1,1
572,0,0,1,1,0,0,0,1,0,102588231,"C[C@@H]([C@@](C(C)C)(C(=O)O[C@@H]1CC[N+]2([C@@H]1C(CC2)CO)[O-])O)O","OCC1CC[N+]2([C@H]1[C@@H](CC2)OC(=O)[C@@]([C@@H](O)C)(C(C)C)O)[O-]",,0,F,0,F,1,0,0,0,0,0,0
573,0,0,1,0,0,1,0,0,1,102596225,"CC(=O)OC[C@H]1[C@@H](CN2[C@@H]1[C@@H]([C@H](C2)OC(=O)C)OC(=O)C)OC(=O)C","CC(=O)OC[C@H]1[C@H](OC(=O)C)CN2[C@@H]1[C@H](OC(=O)C)[C@H](C2)OC(=O)C",,0,F,0,F,1,0,0,0,0,0,0
574,0,0,1,0,0,1,0,1,0,102596226,"CC(=O)O[C@@H]1CN2C[C@@H]([C@H]([C@@H]2[C@H]1COC(=O)C(C)(C)C)OC(C)(C)C)OC(C)(C)C","CC(=O)O[C@@H]1CN2[C@@H]([C@H]1COC(=O)C(C)(C)C)[C@@H]([C@H](C2)OC(C)(C)C)OC(C)(C)C",,,,0,F,0,0,0,0,0,0,0
575,0,0,1,0,0,1,0,0,0,6440436,"C/C=C(/C)\C(=O)O[C@H]1CN2CCC[C@H]2[C@H]1CO","OC[C@H]1[C@H](CN2[C@H]1CCC2)OC(=O)/C(=C\C)/C",,0,F,0,F,0,0,0,0,0,0,0
576,0,0,1,0,0,1,0,1,0,656392,"CC[C@@H](C)[C@H](C(=O)OC[C@H]1CCN2[C@H]1CCC2)O","CC[C@H]([C@H](C(=O)OC[C@H]1CCN2[C@H]1CCC2)O)C",,0,T,0,F,1,0,0,0,0,0,0
577,0,0,1,0,0,1,0,1,0,10806120,"C[C@H]([C@@](C(C)C)(C(=O)OC[C@@H]1CCN2[C@H]1CCC2)O)OC(=O)C","CC(=O)O[C@@H]([C@](C(=O)OC[C@@H]1CCN2[C@H]1CCC2)(C(C)C)O)C",,0,T,1,F,0,0,0,0,1,0,0
578,0,0,1,1,0,0,0,1,0,10523,"CC(C)[C@@](C(C)O)(C(=O)OC[C@H]1CC[N+]2([C@H]1CCC2)[O-])O","CC([C@](C(=O)OC[C@H]1CC[N+]2([C@H]1CCC2)[O-])(C(O)C)O)C",,0,F,0,F,1,0,0,0,1,0,0
579,0,0,1,0,0,1,0,1,0,26477,"CC(C)[C@@](C(C)O)(C(=O)OC[C@H]1CCN2[C@H]1CCC2)O","CC([C@](C(=O)OC[C@H]1CCN2[C@H]1CCC2)(C(O)C)O)C",,0,T,0,F,0,0,0,0,1,0,0
580,0,0,1,0,0,1,0,1,0,155104,"CCC(C)C(C(C)O)(C(=O)OCC1CCN2C1CCC2)O","CCC(C(C(=O)OCC1CCN2C1CCC2)(C(O)C)O)C",,0,T,0,F,1,0,0,0,1,0,0
581,0,0,1,0,0,1,0,1,0,155153,"C[C@@H]([C@](C(C)C)(C(=O)OC[C@@H]1CCN2[C@H]1CCC2)O)O","CC([C@](C(=O)OC[C@@H]1CCN2[C@H]1CCC2)([C@@H](O)C)O)C",,0,T,1,F,0,0,0,0,1,0,0
582,0,0,1,0,0,1,0,1,0,169554,"CCC(C)(C(C(=O)OCC1CCN2C1CCC2)O)O","CCC(C(C(=O)OCC1CCN2C1CCC2)O)(O)C",,,,0,F,1,0,0,0,1,0,0
583,0,0,1,0,0,1,0,1,0,4483893,"CC=C(C)C(=O)OCC1C2CCCN2CC1O","CC=C(C(=O)OCC1C(O)CN2C1CCC2)C",,0,F,0,F,0,0,0,0,0,0,0
584,0,0,1,0,0,1,0,1,0,5315247,"CCC(C(CC(C)C)(C(=O)OCC1CCN2C1CCC2)O)O","CCC(C(C(=O)OCC1CCN2C1CCC2)(CC(C)C)O)O",,0,T,1,F,0,0,0,0,0,0,0
585,0,0,1,0,0,1,0,1,0,10685701,"C[C@@H]([C@@](C(=O)OC[C@@H]1CCN2[C@H]1CCC2)(C(C)(C)O)O)O","C[C@@H]([C@](C(O)(C)C)(C(=O)OC[C@@H]1CCN2[C@H]1CCC2)O)O",,0,T,0,F,0,0,0,0,1,0,0
586,0,0,1,0,0,1,0,1,0,13967757,"CC(=O)OC[C@@H]1CCN2[C@H]1CCC2","CC(=O)OC[C@@H]1CCN2[C@H]1CCC2",,0,F,0,F,1,0,0,0,0,0,0
587,0,0,1,0,0,1,0,1,0,46930232,"CCC(C)C(=O)OC[C@@H]1CCN2[C@H]1CCC2","CCC(C(=O)OC[C@@H]1CCN2[C@H]1CCC2)C",,0,F,0,F,0,0,0,0,0,0,0
588,0,0,1,1,0,0,0,1,0,51693704,"CC[C@](C)([C@H](C(=O)OC[C@@H]1CC[N+]2([C@@H]1CCC2)[O-])O)O","CC[C@]([C@H](C(=O)OC[C@@H]1CC[N+]2([C@@H]1CCC2)[O-])O)(O)C",,,,0,F,1,0,0,0,1,0,0
589,0,0,1,0,0,1,0,1,0,67189194,"CCCC(=O)OCC1CCN2C1CCC2","CCCC(=O)OCC1CCN2C1CCC2",,0,F,0,F,0,0,0,0,0,0,0
590,0,0,1,0,0,1,0,1,0,91747354,"C/C=C(/C)\C(=O)OC[C@@H]1CCN2[C@H]1CCC2","C/C=C(\C(=O)OC[C@@H]1CCN2[C@H]1CCC2)/C",,0,F,0,F,0,0,0,0,0,0,0
591,0,0,1,0,0,1,0,1,0,91747604,"C/C=C(/C)\C(=O)OC(C)[C@](C(C)C)(C(=O)OC[C@@H]1CCN2[C@H]1CCC2)O[Si](C)(C)C","C/C=C(\C(=O)OC([C@@](C(=O)OC[C@@H]1CCN2[C@H]1CCC2)(C(C)C)O[Si](C)(C)C)C)/C",,0,F,0,F,0,0,0,0,1,0,0
592,0,0,1,0,0,1,0,1,0,91747607,"C/C=C(\C)/C(=O)OC(C)[C@](C(C)C)(C(=O)OC[C@@H]1CCN2[C@H]1CCC2)O[Si](C)(C)C","C/C=C(/C(=O)OC([C@@](C(=O)OC[C@@H]1CCN2[C@H]1CCC2)(C(C)C)O[Si](C)(C)C)C)\C",,0,F,0,F,0,0,0,0,1,0,0
593,0,0,1,0,0,1,0,1,0,91749893,"CC(C(=O)OC[C@@H]1CCN2[C@H]1CCC2)O","O=C(C(O)C)OC[C@@H]1CCN2[C@H]1CCC2",,0,F,0,F,1,0,0,0,1,0,0
594,0,0,1,0,0,1,0,1,0,91749894,"C/C=C(\C)/C(=O)OC[C@@H]1CCN2[C@H]1CCC2","C/C=C(/C(=O)OC[C@@H]1CCN2[C@H]1CCC2)\C",,0,F,0,F,0,0,0,0,0,0,0
595,0,0,1,0,0,1,0,1,0,91749895,"C[C@@](C=C)(C(=O)OC[C@@H]1CCN2[C@H]1CCC2)O","C=C[C@](C(=O)OC[C@@H]1CCN2[C@H]1CCC2)(O)C",,,,0,F,1,0,0,0,0,0,0
596,0,0,1,0,0,1,0,1,0,91749896,"CCC(C)(C(=O)OC[C@@H]1CCN2[C@H]1CCC2)O","CCC(C(=O)OC[C@@H]1CCN2[C@H]1CCC2)(O)C",,,,0,F,1,0,0,0,0,0,0
597,0,0,1,0,0,1,0,1,0,91749897,"CCC(=O)OC(C)C(C)(C(=O)OC[C@@H]1CCN2[C@H]1CCC2)O","CCC(=O)OC(C(C(=O)OC[C@@H]1CCN2[C@H]1CCC2)(O)C)C",,0,T,0,F,1,0,0,0,0,0,0
598,0,0,1,0,0,1,0,1,0,91749898,"CCC(C)C(=O)OC(C)C(C)(C(=O)OC[C@@H]1CCN2[C@H]1CCC2)O","CCC(C(=O)OC(C(C(=O)OC[C@@H]1CCN2[C@H]1CCC2)(O)C)C)C",,0,F,0,F,1,0,0,0,0,0,0
599,0,0,1,0,0,1,0,1,0,91749899,"C/C=C(\C)/C(=O)OC(C)C(C)(C(=O)OC[C@@H]1CCN2[C@H]1CCC2)O","C/C=C(/C(=O)OC(C(C(=O)OC[C@@H]1CCN2[C@H]1CCC2)(O)C)C)\C",,0,F,0,F,1,0,0,0,1,0,0
600,0,0,1,0,0,1,0,1,0,101324794,"CC(C)C[C@@](CC(=O)OC[C@@H]1CCN2[C@H]1CCC2)(C(=O)OC)O","COC(=O)[C@](CC(=O)OC[C@@H]1CCN2[C@H]1CCC2)(CC(C)C)O",,0,T,0,F,0,0,0,0,0,0,0
601,0,0,1,0,0,1,0,1,0,101360427,"CC(=O)OC[C@H]1CC(=O)N2[C@H]1CCC2","CC(=O)OC[C@H]1CC(=O)N2[C@H]1CCC2",,1,F,0,F,1,0,0,0,1,0,0
602,0,0,1,0,0,1,0,1,0,118701599,"C/C=C(/C)\C(=O)OC[C@H]1[C@H](CN2C1CCC2)O","C/C=C(\C(=O)OC[C@H]1[C@@H](O)CN2C1CCC2)/C",,0,F,0,0,0,0,0,0,0