0 B6R0.5 CC(C)(C)CC=O SPC-v719 [0,0,0,0,0,0|1,0,2]=3 1 B6R0.5 CC(F)(F)CCN SPC-w139 [0,0,0,0,0,0|4,0,0]=4 2 B6R0.5 C[Si](C)(C)CCO SPC-k286 [0,0,0,0,0,0|1,0,0]=1 3 B5R0.1 CCC[C@H](C)N SPC-k309 [1,0,0,0,0,0|3,0,0]=4 4 B5R0.1 C[C@@H](N)CCO SPC-g658 [1,0,0,0,0,0|2,0,0]=3 5 B5R0.1 C[C@H](N)CCO SPC-n760 [1,0,0,0,0,0|2,0,0]=3 6 B5R0.1 OCCC(F)F SPC-u602 [1,0,0,0,0,0|3,0,0]=4 7 B5R0.4 C=C[Si](C)(C)C SPC-t167 [1,0,0,0,0,0|1,0,2]=4 8 B5R0.4 CC(C)(F)CO SPC-t593 [1,0,0,0,0,0|2,0,0]=3 9 B5R0.4 CC(C)(O)CN SPC-g498 [1,0,0,0,0,0|3,0,0]=4 10 B5R0.4 [C-]#[N+]C(C)(C)C SPC-m995 [1,0,0,0,0,0|2,0,1]=4 11 B7R0.9 CC(C)(C)CC(=O)Cl SPC-v725 [0,1,0,0,0,0|1,0,2]=4 12 B7R0.14 CC(C)(C)C(=O)CN SPC-n968 [0,1,0,0,0,0|2,0,1]=4 13 B7R0.14 CC(C)(O)[C@@H](F)CN SPC-u815 [0,1,0,0,0,0|3,0,0]=4 14 B7R1.14 CC1(C)CCCN1 SPC-p107 [0,0,0,1,0,0|3,0,0]=4 15 B7R1.14 CC1(C)CCNC1 SPC-m061 [0,0,0,1,0,0|2,0,0]=3 16 B7R1.14 C[C@@]1(O)CCNC1 SPC-n747 [0,0,0,1,0,0|3,0,0]=4 17 B7R1.14 C[C@]1(F)CCNC1 SPC-n059 [0,0,0,1,0,0|3,0,0]=4 18 B7R1.14 C[C@]1(N)CCOC1 SPC-m234 [0,0,0,1,0,0|2,0,0]=3 19 B7R1.14 C[C@]1(O)CCNC1 SPC-g916 [0,0,0,1,0,0|3,0,0]=4 20 B7R1.14 C[C@]1(O)CCNC1 SPC-j188 [0,0,0,1,0,0|3,0,0]=4 21 B7R1.14 C[C@]1(O)CCNC1 SPC-n763 [0,0,0,1,0,0|3,0,0]=4 22 B7R1.14 C[C@]1(O)CCNC1 SPC-s688 [0,0,0,1,0,0|3,0,0]=4 23 B7R1.16 CC1(C)CC(=O)C1 SPC-q743 [0,0,0,1,0,0|1,0,2]=4 24 B7R1.16 CC1(C)CC(N)C1 SPC-i087 [0,0,0,1,0,0|2,0,0]=3 25 B7R1.16 CC1(C)CC(O)C1 SPC-s261 [0,0,0,1,0,0|1,0,0]=2 26 B7R1.16 CC1(F)CC(N)C1 SPC-i468 [0,0,0,1,0,0|3,0,0]=4 27 B7R1.16 CC1(N)CC(F)C1 SPC-u585 [0,0,0,1,0,0|3,0,0]=4 28 B7R1.16 CC1(N)CC(O)C1 SPC-i295 [0,0,0,1,0,0|2,0,0]=3 29 B7R1.16 OC1CC(F)(F)C1 SPC-i104 [0,0,0,1,0,0|3,0,0]=4 30 B7R1.21 CC1(CCO)CC1 SPC-p066 [0,0,0,1,0,0|1,0,0]=2 31 B7R1.21 OCCC1(O)CC1 SPC-t472 [0,0,0,1,0,0|2,0,0]=3 32 B7R1.23 OC[C@@H]1CC1(F)F SPC-v049 [0,0,0,1,0,0|3,0,0]=4 33 B7R1.23 OC[C@H]1CC1(F)F SPC-v218 [0,0,0,1,0,0|3,0,0]=4 34 B4R0.2 C=CCCO SPC-t137 [2,0,0,0,0,0|1,0,1]=4 35 B4R0.3 C[N+](C)(C)C SPC-w001 [2,0,0,0,0,0|0,0,0]=2 36 B6R0.2 CC(C)CB(O)O SPC-r379 [1,1,0,0,0,0|2,0,0]=4 37 B6R0.7 C[Si](C)(C)C(F)F SPC-r396 [1,1,0,0,0,0|2,0,0]=4 38 B6R1.2 Br[C@H]1CCOC1 SPC-h137 [1,0,0,1,0,0|2,0,0]=4 39 B6R1.2 I[C@H]1CCOC1 SPC-h290 [1,0,0,1,0,0|2,0,0]=4 40 B6R1.2 I[C@H]1CCOC1 SPC-j336 [1,0,0,1,0,0|2,0,0]=4 41 B6R1.2 N[C@@H]1CCOC1 SPC-g913 [1,0,0,1,0,0|2,0,0]=4 42 B6R1.2 N[C@H]1CCOC1 SPC-g942 [1,0,0,1,0,0|2,0,0]=4 43 B6R1.2 N[C@H]1CCOC1 SPC-g966 [1,0,0,1,0,0|2,0,0]=4 44 B6R1.2 O=C1CCOC1 SPC-g234 [1,0,0,1,0,0|2,0,0]=4 45 B6R1.2 O[C@@H]1CCOC1 SPC-g564 [1,0,0,1,0,0|2,0,0]=4 46 B6R1.2 O[C@H]1CCOC1 SPC-g096 [1,0,0,1,0,0|2,0,0]=4 47 B6R1.2 O[C@H]1CCOC1 SPC-g256 [1,0,0,1,0,0|2,0,0]=4 48 B6R1.3 ICCC1CC1 SPC-k255 [1,0,0,1,0,0|2,0,0]=4 49 B6R1.3 NCCC1CC1 SPC-t690 [1,0,0,1,0,0|2,0,0]=4 50 B6R1.3 OCCC1CC1 SPC-h056 [1,0,0,1,0,0|1,0,0]=3 51 B6R1.5 CN1CC(Cl)C1 SPC-u755 [1,0,0,1,0,0|1,0,1]=4 52 B6R1.5 CN1CC(N)C1 SPC-a122 [1,0,0,1,0,0|1,0,1]=4 53 B6R1.5 CN1CC(N)C1 SPC-a122 [1,0,0,1,0,0|1,0,1]=4 54 B6R1.5 CN1CC(O)C1 SPC-h814 [1,0,0,1,0,0|0,0,1]=3 55 B6R1.5 C[C@H]1C[C@@H](N)C1 SPC-t414 [1,0,0,1,0,0|2,0,0]=4 56 B6R1.5 NC1CC(O)C1 SPC-h237 [1,0,0,1,0,0|2,0,0]=4 57 B6R1.5 NC1CC(O)C1 SPC-h906 [1,0,0,1,0,0|2,0,0]=4 58 B6R1.5 NN1CC(O)C1 SPC-n969 [1,0,0,1,0,0|1,0,1]=4 59 B6R1.5 N[C@H]1C[C@@H](O)C1 SPC-h453 [1,0,0,1,0,0|2,0,0]=4 60 B6R1.5 N[C@H]1C[C@H](O)C1 SPC-h454 [1,0,0,1,0,0|2,0,0]=4 61 B6R1.5 N[C@H]1C[C@H](O)C1 SPC-i099 [1,0,0,1,0,0|2,0,0]=4 62 B6R1.5 OC1CC(F)C1 SPC-i817 [1,0,0,1,0,0|2,0,0]=4 63 B6R1.5 OC1CC(O)C1 SPC-v254 [1,0,0,1,0,0|2,0,0]=4 64 B6R1.5 O[C@H]1C[C@@H](F)C1 SPC-p948 [1,0,0,1,0,0|2,0,0]=4 65 B6R1.5 O[C@H]1C[C@H](F)C1 SPC-q477 [1,0,0,1,0,0|2,0,0]=4 66 B6R1.7 CC1(CO)CC1 SPC-s643 [1,0,0,1,0,0|1,0,0]=3 67 B6R1.7 CCC1(N)CC1 SPC-m910 [1,0,0,1,0,0|2,0,0]=4 68 B6R1.7 C[C@@]1(CO)CO1 SPC-v389 [1,0,0,1,0,0|2,0,0]=4 69 B6R1.7 NC1(CO)CC1 SPC-m032 [1,0,0,1,0,0|2,0,0]=4 70 B6R1.7 NC1(CO)CC1 SPC-n639 [1,0,0,1,0,0|2,0,0]=4 71 B8R1.51 CC1(C)C[C@H](O)CN1 SPC-r279 [0,1,0,1,0,0|1,0,0]=3 72 B8R1.53 CC1(C)CC(CBr)C1 SPC-i233 [0,1,0,1,0,0|2,0,0]=4 73 B8R1.53 CC1(C)CC(CN)C1 SPC-i127 [0,1,0,1,0,0|2,0,0]=4 74 B8R1.53 CC1(C)CC(CO)C1 SPC-i522 [0,1,0,1,0,0|1,0,0]=3 75 B8R1.53 CC1(C)C[C@H](CBr)O1 SPC-i501 [0,1,0,1,0,0|2,0,0]=4 76 B8R1.53 CC1(C)C[C@H](CBr)O1 SPC-i501 [0,1,0,1,0,0|2,0,0]=4 77 B8R1.53 CC1(C)C[C@H](CN)O1 SPC-i497 [0,1,0,1,0,0|2,0,0]=4 78 B8R1.53 CC1(C)C[C@H](CO)O1 SPC-i786 [0,1,0,1,0,0|1,0,0]=3 79 B8R1.72 CC1(C)CNCCO1 SPC-m460 [0,1,0,1,0,0|2,0,0]=4 80 B8R1.72 CC1(N)CCOCC1 SPC-h385 [0,1,0,1,0,0|2,0,0]=4 81 B8R1.72 CC1(N)CCOCC1 SPC-r348 [0,1,0,1,0,0|2,0,0]=4 82 B8R1.72 C[Si]1(C)CCNCC1 SPC-k462 [0,1,0,1,0,0|2,0,0]=4 83 B8R1.48 CC1(C)CO[C@H]1CN SPC-i500 [0,1,0,1,0,0|2,0,0]=4 84 B8R1.52 C[C@]1(CN)CCOC1 SPC-h504 [0,1,0,1,0,0|1,0,0]=3 85 B8R1.52 N[C@@]1(CO)CCOC1 SPC-h719 [0,1,0,1,0,0|2,0,0]=4 86 B8R1.66 CC1(CCO)COC1 SPC-a031 [0,1,0,1,0,0|1,0,0]=3 87 B8R1.66 NC1(CCO)CCC1 SPC-a198 [0,1,0,1,0,0|2,0,0]=4 88 B8R1.66 NC1(CCO)CCC1 SPC-s797 [0,1,0,1,0,0|2,0,0]=4 89 B8R1.66 NC1(CCO)CSC1 SPC-a196 [0,1,0,1,0,0|2,0,0]=4 90 B8R1.66 OCCC1(F)COC1 SPC-u372 [0,1,0,1,0,0|2,0,0]=4 91 B8R1.66 OCCC1(O)CNC1 SPC-o017 [0,1,0,1,0,0|2,0,0]=4 92 B8R1.66 OCCC1(O)COC1 SPC-u247 [0,1,0,1,0,0|2,0,0]=4 93 B8R1.82 COC1(CCN)CC1 SPC-v584 [0,1,0,1,0,0|2,0,0]=4 94 B8R1.82 N#CC1(CCO)CC1 SPC-m906 [0,1,0,1,0,0|1,0,1]=4 95 B8R2.55 C1CC2(CC2)CN1 SPC-b075 [0,0,0,2,0,0|2,0,0]=4 96 B8R2.43 CC12CC(N)(C1)C2 SPC-a773 [0,0,0,2,0,0|2,0,0]=4 97 B8R2.43 NC12CC(O)(C1)C2 SPC-p324 [0,0,0,2,0,0|2,0,0]=4 98 B8R2.43 OC12CC(Cl)(C1)C2 SPC-v657 [0,0,0,2,0,0|2,0,0]=4 99 B8R2.43 OC12CC(O)(C1)C2 SPC-u407 [0,0,0,2,0,0|2,0,0]=4