0 B12R2.509 C[C@@]12CC[C@@H](C1)C(C2=O)(C)C TS93136 [0,0,0,0,0,0|0,0,0]=0 1 B11R2.204 CC1(C2CCC(C2)C1=C)C TS37057 [1,0,0,0,0,0|1,0,0]=2 2 B11R2.204 CC1([C@@H]2CC[C@@H](C2)C1=C)C TS06121 [1,0,0,0,0,0|1,0,0]=2 3 B11R2.204 CC1([C@H]2CC[C@H](C2)C1=C)C TS37058 [1,0,0,0,0,0|1,0,0]=2 4 B11R2.204 CC1[C@H]2CC[C@H](C2)C1(C)C TS06321 [1,0,0,0,0,0|1,0,1]=3 5 B11R1.1077 CCC1(N(C(CO1)(C)C)O)C TS41938 [0,0,1,0,0,0|2,0,1]=4 6 B11R1.1322 CC1(CCCC(C1=O)(C)C)C TS10478 [0,0,1,0,0,0|0,0,0]=1 7 B11R1.1322 CC1(CCCC(N1C)(C)C)C TS41543 [0,0,1,0,0,0|2,0,0]=3 8 B11R1.1322 CC1(CCCC(N1C)(C)C)C TS60504 [0,0,1,0,0,0|2,0,0]=3 9 B11R1.1322 CC1(CCCC(N1O)(C)C)C TS34611 [0,0,1,0,0,0|1,0,1]=3 10 B11R1.1322 [Li]N1C(CCCC1(C)C)(C)C TS07357 [0,0,1,0,0,0|2,0,0]=3 11 B10R1.540 CC1(CCC(C1=O)(C)C)C TS06499 [1,0,1,0,0,0|0,0,0]=2 12 B10R1.301 CC1CCCC(C1=O)(C)C TS06508 [1,0,1,0,0,0|0,0,0]=2 13 B10R1.23 CN(C)C(=O)C1CCCN1 TS06727 [1,0,1,0,0,0|2,0,0]=4 14 B10R1.23 CN(C)C(=O)[C@@H]1CCCN1 TS06736 [1,0,1,0,0,0|2,0,0]=4 15 B10R1.23 CN(C)C(=O)[C@H]1CCCN1 TS90455 [1,0,1,0,0,0|2,0,0]=4 16 B10R1.411 CC1(CCCO1)C(=O)OC TS90567 [1,0,1,0,0,0|2,0,0]=4 17 B10R1.411 CC1(CCOC1)C(=O)OC TS92406 [1,0,1,0,0,0|2,0,0]=4 18 B10R1.411 C[C@@]1(CCCN1)C(=O)OC TS92809 [1,0,1,0,0,0|2,0,0]=4 19 B10R1.411 C[C@]1(CCCN1)C(=O)OC TS92126 [1,0,1,0,0,0|2,0,0]=4 20 B10R1.307 CC1(CCCC(N1)(C)C)C TS14120 [1,0,1,0,0,0|1,0,0]=3 21 B10R1.307 CC1(CCCC(N1)(C)C)C TS23411 [1,0,1,0,0,0|1,0,0]=3 22 B10R1.307 CC1(CCCC(N1)(C)C)C TS47112 [1,0,1,0,0,0|1,0,0]=3 23 B10R2.25 C1CC2CC1C(C2=O)Cl TS07046 [2,0,0,0,0,0|1,0,0]=3 24 B10R2.25 C=C1C2CCC(C2)C1=O TS04898 [2,0,0,0,0,0|0,0,2]=4 25 B12R1.510 CC1(CC(CC(N1C)(C)C)N)C TS12895 [0,1,1,0,0,0|2,0,0]=4 26 B12R1.510 CC1(CC(CC(N1C)(C)C)O)C TS13058 [0,1,1,0,0,0|2,0,0]=4 27 B12R1.510 CC1(CC(CC(N1O)(C)C)N)C TS13047 [0,1,1,0,0,0|1,0,1]=4 28 B12R1.510 CC1(CC(CC(N1O)(C)C)O)C TS13208 [0,1,1,0,0,0|1,0,1]=4 29 B10R0.65 CC(C)CCCC(C)(C=C)O TS10770 [0,0,2,0,0,0|2,0,0]=4 30 B12R3.4045 C[C@@]12[C@H]3[C@@H]1C[C@H](C3)C2(C)C TS37054 [1,0,0,1,0,0|1,0,1]=4 31 B10R1.315 CC1(C(=O)C(C1=O)(C)C)C TS94713 [0,0,1,0,1,0|1,0,1]=4 32 B12R2.5234 C[C@@]12OC([C@@H](CC1)CC2)(C)C TS10498 [1,0,0,0,0,1|1,0,0]=3