0 B7R0.18 CC(CO)(CO)CO 095815 [0,0,0,0,0,0|1,0,0]=1 1 B7R0.18 CCC(N)(CO)CO 243032 [0,0,0,0,0,0|1,0,0]=1 2 B7R0.18 NC(CO)(CO)CO 045158 [0,0,0,0,0,0|0,0,0]=0 3 B7R0.18 NC(CO)(CO)CO 045450 [0,0,0,0,0,0|0,0,0]=0 4 B7R0.18 NC(CO)(CO)CO 104162 [0,0,0,0,0,0|0,0,0]=0 5 B7R0.18 NC(CO)(CO)CO 104575 [0,0,0,0,0,0|0,0,0]=0 6 B7R0.18 NC(CO)(CO)CO 492437 [0,0,0,0,0,0|0,0,0]=0 7 B7R0.18 NC(CO)(CO)CO M02622 [0,0,0,0,0,0|0,0,0]=0 8 B7R0.18 NC(CO)(CO)CO M02623 [0,0,0,0,0,0|0,0,0]=0 9 B6R0.8 CC(C)(CCl)CCl 134320 [1,0,0,0,0,0|3,0,0]=4 10 B6R0.8 CC(C)(CN)CN 240612 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.8 CC(C)(CN)CO 033048 [1,0,0,0,0,0|2,0,0]=3 12 B6R0.8 CC(C)(CO)CBr 403120 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.8 CC(C)(CO)CO 235831 [1,0,0,0,0,0|1,0,0]=2 14 B6R0.8 CC(N)(CO)CO 098943 [1,0,0,0,0,0|0,0,0]=1 15 B6R0.8 CNC(C)(C)CO 340517 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.9 CCC(CC)CO 093975 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.9 OCC(CO)CO 222829 [1,0,0,0,0,0|0,0,0]=1 18 B8R0.10 CCC(CO)(CO)CO 242642 [0,1,0,0,0,0|1,0,0]=2 19 B8R0.10 COC(CO)(CO)OC 036051 [0,1,0,0,0,0|3,0,0]=4 20 B8R0.10 OCC(CBr)(CBr)CBr 076845 [0,1,0,0,0,0|3,0,0]=4 21 B8R0.10 OCC(CO)(CBr)CBr BR1298 [0,1,0,0,0,0|2,0,0]=3 22 B8R0.10 OCC(CO)(CO)CO 214601 [0,1,0,0,0,0|1,0,0]=2 23 B8R0.31 CCCC(C)(CO)CO 242643 [0,1,0,0,0,0|2,0,0]=3 24 B8R0.36 CC(CO)(CO)C(=O)O 241292 [0,1,0,0,0,0|1,0,1]=3 25 B8R0.36 CC(CO)(CO)[N+](=O)[O-] 180096 [0,1,0,0,0,0|2,0,1]=4 26 B8R0.36 O=[N+]([O-])C(Br)(CO)CO 003617 [0,1,0,0,0,0|2,0,1]=4 27 B8R1.52 NC1(CO)CCCC1 234227 [0,0,0,1,0,0|2,0,0]=3 28 B5R0.3 C=C(CO)CO 079496 [2,0,0,0,0,0|0,0,2]=4 29 B5R0.3 C=CC(O)CO 099464 [2,0,0,0,0,0|1,0,1]=4 30 B5R0.3 CC(CBr)CBr 229847 [2,0,0,0,0,0|2,0,0]=4 31 B5R0.3 CC(CCl)CBr 239837 [2,0,0,0,0,0|2,0,0]=4 32 B5R0.3 CC(CO)CO 242900 [2,0,0,0,0,0|0,0,0]=2 33 B5R0.3 CCC(C)CC 098988 [2,0,0,0,0,0|2,0,0]=4 34 B5R0.3 CCC(C)CN 013636 [2,0,0,0,0,0|2,0,0]=4 35 B5R0.3 CCC(C)CO 358145 [2,0,0,0,0,0|1,0,0]=3 36 B5R0.3 CCC(N)CC 094499 [2,0,0,0,0,0|2,0,0]=4 37 B5R0.3 CCC(N)CO 091481 [2,0,0,0,0,0|1,0,0]=3 38 B5R0.3 CCC(O)CC 358049 [2,0,0,0,0,0|2,0,0]=4 39 B5R0.3 CCC(O)CN 002496 [2,0,0,0,0,0|2,0,0]=4 40 B5R0.3 CC[C@@H](N)CO 012703 [2,0,0,0,0,0|1,0,0]=3 41 B5R0.3 CC[C@H](C)CO 473128 [2,0,0,0,0,0|1,0,0]=3 42 B5R0.3 CC[C@H](N)CO 012704 [2,0,0,0,0,0|1,0,0]=3 43 B5R0.3 NC(CO)CO 043594 [2,0,0,0,0,0|0,0,0]=2 44 B5R0.3 NCC(O)CN 013503 [2,0,0,0,0,0|2,0,0]=4 45 B5R0.3 NCC(O)CO 093744 [2,0,0,0,0,0|1,0,0]=3 46 B5R0.3 NC[C@@H](O)CO 036807 [2,0,0,0,0,0|1,0,0]=3 47 B5R0.3 NC[C@H](O)CCl 320853 [2,0,0,0,0,0|2,0,0]=4 48 B5R0.3 O=C(CO)CO 093516 [2,0,0,0,0,0|0,0,2]=4 49 B5R0.3 OC(CBr)CBr 242654 [2,0,0,0,0,0|2,0,0]=4 50 B5R0.3 OC(CCl)CCl 214775 [2,0,0,0,0,0|2,0,0]=4 51 B5R0.3 OCC(O)CCl 242924 [2,0,0,0,0,0|1,0,0]=3 52 B5R0.3 OCC(O)CO 094580 [2,0,0,0,0,0|0,0,0]=2 53 B5R0.3 OCC(O)CO 102072 [2,0,0,0,0,0|0,0,0]=2 54 B5R0.3 OCC(O)CO 104202 [2,0,0,0,0,0|0,0,0]=2 55 B5R0.3 OCC(O)CS 104512 [2,0,0,0,0,0|0,1,0]=3 56 B5R0.3 OC[C@@H](O)CCl 079187 [2,0,0,0,0,0|1,0,0]=3 57 B5R0.4 C#CC(C)(C)N 030955 [2,0,0,0,0,0|1,0,1]=4 58 B5R0.4 CC(C)(Br)CBr 003878 [2,0,0,0,0,0|2,0,0]=4 59 B5R0.4 CC(C)(C)CI 099189 [2,0,0,0,0,0|2,0,0]=4 60 B5R0.4 CC(C)(C)CN 160000 [2,0,0,0,0,0|2,0,0]=4 61 B5R0.4 CC(C)(C)CO 094979 [2,0,0,0,0,0|1,0,0]=3 62 B5R0.4 CC(C)(C)NO 069319 [2,0,0,0,0,0|2,0,0]=4 63 B5R0.4 CC(C)(N)CN 051242 [2,0,0,0,0,0|1,0,0]=3 64 B5R0.4 CC(C)(N)CO 094438 [2,0,0,0,0,0|0,0,0]=2 65 B5R0.4 CC(C)(O)CCl 120400 [2,0,0,0,0,0|2,0,0]=4 66 B5R0.4 CC(C)(O)CN 041912 [2,0,0,0,0,0|2,0,0]=4 67 B5R0.4 CC(C)(O)CO 080226 [2,0,0,0,0,0|1,0,0]=3 68 B5R0.4 CC(F)(F)CO 034700 [2,0,0,0,0,0|2,0,0]=4 69 B5R0.4 CCC(C)(C)Br 005914 [2,0,0,0,0,0|2,0,0]=4 70 B5R0.4 CCC(C)(C)N 102046 [2,0,0,0,0,0|1,0,0]=3 71 B5R0.4 CCC(C)(C)O 094937 [2,0,0,0,0,0|2,0,0]=4 72 B5R0.4 CCC(C)(C)O 094938 [2,0,0,0,0,0|2,0,0]=4 73 B5R0.4 CCC(C)(C)O 098852 [2,0,0,0,0,0|2,0,0]=4 74 B5R0.4 CCC(C)(C)[O-] 094579 [2,0,0,0,0,0|2,0,0]=4 75 B5R0.4 CCC(C)(C)[O-] 104770 [2,0,0,0,0,0|2,0,0]=4 76 B5R0.4 CCC(C)(C)[O-] 105003 [2,0,0,0,0,0|2,0,0]=4 77 B7R0.13 CC(C)(CO)C(=O)O 147000 [1,1,0,0,0,0|1,0,1]=4 78 B7R0.13 CC[C@](C)(N)C(=O)O 208668 [1,1,0,0,0,0|1,0,1]=4 79 B9R0.78 O=[N+]([O-])C(CO)(CO)CO 242207 [0,2,0,0,0,0|0,0,1]=3 80 B7R1.25 CC1(CBr)COC1 033204 [1,0,0,1,0,0|2,0,0]=4 81 B7R1.25 CC1(CO)COC1 076843 [1,0,0,1,0,0|1,0,0]=3 82 B7R1.29 OCC1(CO)CC1 067771 [1,0,0,1,0,0|1,0,0]=3 83 B7R1.1 OCC1CCCC1 067781 [1,0,0,1,0,0|2,0,0]=4 84 B7R1.1 OCC1CCOC1 208614 [1,0,0,1,0,0|1,0,0]=3 85 B9R1.118 NC1(CO)CCSCC1 447834 [0,1,0,1,0,0|1,1,0]=4