0 B7R0.11 C#CCC(C)(C)CO D77144 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.11 CC(C)(CO)CCN AT20761 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.11 CCCC(C)(C)CO A10859 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.5 C#CCC(C)(C)C AT23213 [1,0,0,0,0,0|1,0,1]=3 4 B6R0.5 CC(C)(F)CCN P14068 [1,0,0,0,0,0|3,0,0]=4 5 B6R0.5 CC(C)(F)CCO AT22034 [1,0,0,0,0,0|3,0,0]=4 6 B6R0.5 CC(C)(O)CCCl D86387 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.5 CC(C)(O)CON D75282 [1,0,0,0,0,0|2,0,0]=3 8 B6R0.5 C[N+](C)(C)CC=O C77425 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.8 CC(C)(C#N)CN D86232 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.8 CC(C)(CO)CF AT13782 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.8 CCC(C)(C)NN W10660 [1,0,0,0,0,0|2,0,1]=4 12 B8R1.51 CC1(C)CC(=O)NO1 D73554 [0,0,0,1,0,0|3,0,0]=4 13 B8R1.51 C[C@@H]1CNC(C)(C)C1 D75540 [0,0,0,1,0,0|2,0,1]=4 14 B8R1.52 CC[C@@]1(C)CCNC1 AT25604 [0,0,0,1,0,0|1,0,2]=4 15 B8R1.52 CN[C@@]1(C)CCOC1 P11465 [0,0,0,1,0,0|2,0,1]=4 16 B8R1.72 CC1(C)CCCCN1 AT24207 [0,0,0,1,0,0|2,0,1]=4 17 B8R1.72 CC1(C)CNCCS1 AT25269 [0,0,0,1,0,0|0,1,2]=4 18 B8R1.72 CC1(C)CSCCN1 AT10787 [0,0,0,1,0,0|2,0,1]=4 19 B8R1.82 CNCC1(OC)CC1 D74328 [0,0,0,1,0,0|0,0,2]=3 20 B5R0.1 CNC[C@H](C)O C77457 [2,0,0,0,0,0|0,0,2]=4 21 B5R0.1 C[C@H](O)CCN D77178 [2,0,0,0,0,0|2,0,0]=4 22 B5R0.2 [C-]#[N+]CCSC AT25542 [2,0,0,0,0,0|0,1,0]=3 23 B5R0.4 CC(C)(F)CN F53132 [2,0,0,0,0,0|1,0,1]=4 24 B7R0.14 CC(C)(O)[C@@H](F)CN AT19907 [1,1,0,0,0,0|2,0,0]=4 25 B7R0.13 COC(C)(C)C(=N)N AT24381 [1,1,0,0,0,0|0,0,2]=4 26 B7R0.13 COC(C)(C)C(=N)N AT24382 [1,1,0,0,0,0|0,0,2]=4 27 B9R0.60 COC(=O)C(C)(C)CCBr AT23329 [0,2,0,0,0,0|2,0,0]=4 28 B7R1.10 CO[C@H]1C[C@@H](N)C1 P15668 [1,0,0,1,0,0|2,0,0]=4 29 B7R1.10 CO[C@H]1C[C@H](N)C1 P12378 [1,0,0,1,0,0|2,0,0]=4 30 B7R1.27 CO[C@@]1(C)C[C@H]1N AT11449 [1,0,0,1,0,0|2,0,0]=4 31 B7R1.16 CC1(O)CC(=O)C1 AT22537 [1,0,0,1,0,0|2,0,0]=4 32 B7R1.16 CC1(O)CC(O)C1 AT22536 [1,0,0,1,0,0|2,0,0]=4 33 B7R1.16 C[C@]1(O)C[C@H](N)C1 P13186 [1,0,0,1,0,0|2,0,0]=4 34 B7R1.23 CC1(C)O[C@H]1CBr AC8137 [1,0,0,1,0,0|2,0,0]=4 35 B7R1.17 CC1(C)NC[C@@H]1F AT24724 [1,0,0,1,0,0|2,0,0]=4 36 B7R1.17 CC1(C)NC[C@@H]1N P12469 [1,0,0,1,0,0|1,0,1]=4 37 B7R1.17 CC1(C)NC[C@@H]1N P19365 [1,0,0,1,0,0|1,0,1]=4 38 B7R1.17 CC1(C)OCC1=O P17179 [1,0,0,1,0,0|1,0,1]=4 39 B7R1.17 CC1(C)SC[C@@H]1N E72936 [1,0,0,1,0,0|0,1,1]=4 40 B7R1.29 COC1(C#N)CC1 D74319 [1,0,0,1,0,0|0,0,2]=4 41 B7R1.29 COC1(C=O)CC1 D74324 [1,0,0,1,0,0|1,0,1]=4 42 B7R1.29 COC1(CN)CC1 D72740 [1,0,0,1,0,0|0,0,1]=3 43 B7R1.29 CSC1(CN)CC1 AT25544 [1,0,0,1,0,0|0,1,1]=4 44 B9R1.32 COC1C(N)CC1(C)C AT11413 [0,1,0,1,0,0|2,0,0]=4 45 B9R1.134 COC[C@@]1(C)CCNC1 E72897 [0,1,0,1,0,0|0,0,2]=4 46 B9R2.139 N[C@@H]1COC2(CC2)C1 E73337 [0,0,0,2,0,0|2,0,0]=4 47 B9R2.139 O[C@@H]1COC2(CC2)C1 AC9561 [0,0,0,2,0,0|2,0,0]=4 48 B9R2.174 C1COC2(CC2)CN1 AC9130 [0,0,0,2,0,0|0,0,2]=4