0 B6R0.3 CC(C)C(=O)NN SPC-t733 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.3 CON(C)C(C)=O SPC-t100 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 CCC[C@H](C)N SPC-k309 [1,0,0,0,0,0|2,0,1]=4 3 B7R0.5 CC(C)C(=O)OCCl SPC-n339 [0,1,0,0,0,0|0,0,0]=1 4 B7R0.5 CCOC(=O)C(N)=S SPC-m739 [0,1,0,0,0,0|2,0,1]=4 5 B7R0.5 CN(C)C(=O)CCN SPC-t561 [0,1,0,0,0,0|2,0,0]=3 6 B7R0.14 CC(C)(C)C(=O)CN SPC-n968 [0,1,0,0,0,0|2,0,0]=3 7 B7R1.4 N[C@H]1CCNC1=O SPC-u507 [0,0,0,1,0,0|2,0,0]=3 8 B7R1.4 N[C@H]1CCOC1=O SPC-s908 [0,0,0,1,0,0|1,0,0]=2 9 B7R1.17 CC1(C)CCC1=O SPC-s190 [0,0,0,1,0,0|1,0,0]=2 10 B7R1.17 CC1(C)CC[C@@H]1O SPC-s189 [0,0,0,1,0,0|1,0,2]=4 11 B7R1.17 CC1(C)OCC1=O SPC-r001 [0,0,0,1,0,0|2,0,0]=3 12 B7R1.19 CC(C)C1(O)CC1 SPC-q810 [0,0,0,1,0,0|1,0,2]=4 13 B7R1.22 CC[C@H](N)C1CC1 SPC-n986 [0,0,0,1,0,0|2,0,1]=4 14 B7R1.22 NNC(=O)C1CC1 SPC-g371 [0,0,0,1,0,0|2,0,0]=3 15 B4R0.1 CC(=O)CN SPC-t886 [2,0,0,0,0,0|1,0,0]=3 16 B4R0.1 NC(=O)CI SPC-s873 [2,0,0,0,0,0|2,0,0]=4 17 B6R0.7 CC(C)(C)[S@@](N)=O SPC-g440 [1,1,0,0,0,0|2,0,0]=4 18 B6R0.7 CC(C)(C)[S@@](N)=O SPC-s712 [1,1,0,0,0,0|2,0,0]=4 19 B6R0.7 CC(C)(C)[S@](N)=O SPC-g211 [1,1,0,0,0,0|2,0,0]=4 20 B6R0.7 CC(F)(F)C(=O)O SPC-u702 [1,1,0,0,0,0|1,0,0]=3 21 B6R0.7 O=C(O)C(F)(F)F SPC-i053 [1,1,0,0,0,0|2,0,0]=4 22 B6R0.7 O=C(O)C(F)(F)F SPC-i652 [1,1,0,0,0,0|2,0,0]=4 23 B6R0.7 O=C(O)C(F)(F)F SPC-s652 [1,1,0,0,0,0|2,0,0]=4 24 B6R0.7 O=C(O)C(F)(F)F SPC-s662 [1,1,0,0,0,0|2,0,0]=4 25 B6R0.7 O=C(O)C(F)(F)F SPC-v387 [1,1,0,0,0,0|2,0,0]=4 26 B8R0.2 CON(C)C(=O)C(C)C SPC-m417 [0,1,0,0,0,1|2,0,0]=4 27 B8R0.24 CC(C)(C)OC(=O)NO SPC-r381 [0,1,0,0,0,1|2,0,0]=4 28 B8R0.14 CCOC(=O)C(Cl)(Cl)Cl SPC-n384 [0,2,0,0,0,0|2,0,0]=4 29 B6R1.2 Br[C@H]1CCOC1 SPC-h137 [1,0,0,1,0,0|1,0,1]=4 30 B6R1.2 C[C@@H]1CCCN1 SPC-n701 [1,0,0,1,0,0|2,0,0]=4 31 B6R1.2 C[C@H]1CCCN1 SPC-r295 [1,0,0,1,0,0|2,0,0]=4 32 B6R1.2 IC1=COCC1 SPC-t718 [1,0,0,1,0,0|1,0,1]=4 33 B6R1.2 I[C@H]1CCOC1 SPC-h290 [1,0,0,1,0,0|1,0,1]=4 34 B6R1.2 I[C@H]1CCOC1 SPC-j336 [1,0,0,1,0,0|1,0,1]=4 35 B6R1.2 N[C@@H]1CCOC1 SPC-g913 [1,0,0,1,0,0|1,0,1]=4 36 B6R1.2 N[C@H]1CCOC1 SPC-g942 [1,0,0,1,0,0|1,0,1]=4 37 B6R1.2 N[C@H]1CCOC1 SPC-g966 [1,0,0,1,0,0|1,0,1]=4 38 B6R1.2 O[C@@H]1CCOC1 SPC-g564 [1,0,0,1,0,0|1,0,1]=4 39 B6R1.2 O[C@H]1CCOC1 SPC-g096 [1,0,0,1,0,0|1,0,1]=4 40 B6R1.2 O[C@H]1CCOC1 SPC-g256 [1,0,0,1,0,0|1,0,1]=4 41 B6R1.3 CNCC1CC1 SPC-h311 [1,0,0,1,0,0|1,0,1]=4 42 B6R1.10 CC1(C)CNC1 SPC-h500 [1,0,0,1,0,0|1,0,1]=4 43 B6R1.10 CC1(N)COC1 SPC-a024 [1,0,0,1,0,0|1,0,1]=4 44 B6R1.10 CC1(N)COC1 SPC-h792 [1,0,0,1,0,0|1,0,1]=4 45 B6R1.10 CC1(O)COC1 SPC-a027 [1,0,0,1,0,0|1,0,1]=4 46 B6R1.4 C[C@@H]1OCC1=O SPC-p252 [1,0,0,1,0,0|2,0,0]=4 47 B6R1.4 N[C@@H]1CNC1=O SPC-u597 [1,0,0,1,0,0|2,0,0]=4 48 B6R1.4 N[C@H]1CNC1=O SPC-s686 [1,0,0,1,0,0|2,0,0]=4 49 B6R1.4 O=C1CC[C@@H]1Br SPC-u765 [1,0,0,1,0,0|2,0,0]=4 50 B8R1.4 C[C@@H]1CC(=O)CCN1 SPC-j888 [0,0,0,1,0,1|2,0,0]=4 51 B8R1.4 C[C@@H]1CNCC(=O)N1 SPC-n811 [0,0,0,1,0,1|2,0,0]=4 52 B8R1.4 C[C@H]1CC(=O)CCN1 SPC-j895 [0,0,0,1,0,1|2,0,0]=4 53 B8R1.4 C[C@H]1CC(=O)CCN1 SPC-m537 [0,0,0,1,0,1|2,0,0]=4 54 B8R1.4 C[C@H]1CC(=O)CCN1 SPC-n719 [0,0,0,1,0,1|2,0,0]=4 55 B8R1.4 C[C@H]1CC(=O)CCO1 SPC-k855 [0,0,0,1,0,1|2,0,0]=4 56 B8R1.4 C[C@H]1CCNC(=O)C1 SPC-p144 [0,0,0,1,0,1|1,0,0]=3 57 B8R1.4 C[C@H]1CNCC(=O)N1 SPC-n812 [0,0,0,1,0,1|2,0,0]=4 58 B8R1.4 N[C@H]1CCNC(=O)C1 SPC-j029 [0,0,0,1,0,1|2,0,0]=4 59 B8R1.4 O=C1CCC[C@H](O)C1 SPC-p385 [0,0,0,1,0,1|2,0,0]=4 60 B8R1.18 CN1C[C@@H](N)CC1=O SPC-p485 [0,0,0,1,0,1|2,0,0]=4 61 B8R1.40 COC(=O)CC1CC1 SPC-k723 [0,0,0,1,0,1|0,0,0]=2 62 B8R1.51 CC1(C)COC(=O)N1 SPC-k094 [0,0,0,1,0,1|0,0,0]=2 63 B8R1.5 CN1CCNCC1=O SPC-j564 [0,1,0,1,0,0|2,0,0]=4 64 B8R1.5 CN1CCNCC1=O SPC-r023 [0,1,0,1,0,0|2,0,0]=4 65 B8R1.5 C[C@H]1CNCCC1=O SPC-n076 [0,1,0,1,0,0|1,0,0]=3 66 B8R1.5 C[C@H]1COCCC1=O SPC-p410 [0,1,0,1,0,0|1,0,0]=3 67 B8R1.5 O=C1CCNC[C@@H]1F SPC-g858 [0,1,0,1,0,0|2,0,0]=4 68 B8R1.5 O=C1CCOC[C@@H]1Br SPC-h143 [0,1,0,1,0,0|2,0,0]=4 69 B8R1.5 O=C1CCOC[C@@H]1F SPC-p380 [0,1,0,1,0,0|2,0,0]=4 70 B8R1.19 CC1(C)CCCC1=O SPC-q787 [0,1,0,1,0,0|1,0,0]=3 71 B8R1.19 CC1(C)OCCC1=O SPC-v121 [0,1,0,1,0,0|1,0,0]=3 72 B8R1.19 O=C1NCCC1(F)F SPC-p295 [0,1,0,1,0,0|2,0,0]=4 73 B8R1.37 CCCC(=O)C1CC1 SPC-u760 [0,1,0,1,0,0|1,0,0]=3 74 B8R1.37 CCOC(=O)[C@@H]1CO1 SPC-g805 [0,1,0,1,0,0|1,0,0]=3 75 B8R1.54 C[C@H](Br)C(=O)C1CC1 SPC-p141 [0,1,0,1,0,0|1,0,0]=3 76 B8R1.11 O=C1NCC[C@@H]1CO SPC-k007 [0,1,0,1,0,0|1,0,0]=3 77 B8R1.38 CC(CO)C1CCO1 SPC-s810 [0,1,0,1,0,0|1,0,1]=4 78 B8R1.38 COC(=O)C1CNC1 SPC-g203 [0,1,0,1,0,0|0,0,0]=2 79 B8R1.38 COC(=O)C1COC1 SPC-i614 [0,1,0,1,0,0|0,0,0]=2 80 B8R1.38 COC(=O)[C@@H]1CCN1 SPC-h839 [0,1,0,1,0,0|0,0,0]=2 81 B8R1.38 COC(=O)[C@@H]1CCN1 SPC-m118 [0,1,0,1,0,0|0,0,0]=2 82 B8R1.38 COC(=O)[C@H]1CCN1 SPC-h849 [0,1,0,1,0,0|0,0,0]=2 83 B8R1.38 O=C(CBr)C1CCC1 SPC-t926 [0,1,0,1,0,0|2,0,0]=4 84 B8R1.39 COC(=O)C1(Br)CC1 SPC-t196 [0,1,0,1,0,0|0,0,0]=2 85 B8R1.39 COC(=O)C1(N)CC1 SPC-n419 [0,1,0,1,0,0|0,0,0]=2 86 B8R1.39 COC(=O)C1(O)CC1 SPC-g901 [0,1,0,1,0,0|0,0,0]=2 87 B8R1.50 CN1CC[C@@H](N)C1=O SPC-v521 [0,1,0,1,0,0|2,0,0]=4 88 B8R1.48 CC1(C)CO[C@H]1CN SPC-i500 [0,1,0,1,0,0|1,0,1]=4 89 B8R2.19 O=C1CCC12CC2 SPC-t255 [0,0,0,2,0,0|1,0,0]=3