0 B6R0.4 CC\C=C\C(=O)O SPC-t510 [1,0,0,0,0,0|0,0,2]=3 1 B8R1.3 CC1=NN=C(O)C=C1 SPC-g136 [0,0,0,1,0,0|2,0,1]=4 2 B8R1.3 CC1=NN=C(O)C=C1 SPC-t081 [0,0,0,1,0,0|2,0,1]=4 3 B8R1.3 C[C@@H]1C=CC(=O)CC1 SPC-s978 [0,0,0,1,0,0|1,0,2]=4 4 B8R1.3 C[C@@H]1CNC(=O)CN1 SPC-u069 [0,0,0,1,0,0|2,0,1]=4 5 B8R1.3 C[C@H]1CCC(=O)NC1 SPC-p145 [0,0,0,1,0,0|1,0,2]=4 6 B8R1.3 C[C@H]1CNC(=O)CN1 SPC-n806 [0,0,0,1,0,0|2,0,1]=4 7 B8R1.23 C=C1CC(C(=O)O)C1 SPC-g775 [0,0,0,1,0,0|0,0,2]=3 8 B8R1.23 CC(C)[C@@H]1CC(=O)N1 SPC-v044 [0,0,0,1,0,0|1,0,2]=4 9 B8R1.23 CC1CC(C(=O)O)C1 SPC-m202 [0,0,0,1,0,0|0,0,2]=3 10 B8R1.23 CN1CC(C(=O)O)C1 SPC-a114 [0,0,0,1,0,0|1,0,1]=3 11 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 SPC-i346 [0,0,0,1,0,0|0,0,2]=3 12 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 SPC-i384 [0,0,0,1,0,0|0,0,2]=3 13 B8R1.23 NC1CC(C(=O)O)C1 SPC-q735 [0,0,0,1,0,0|1,0,2]=4 14 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SPC-h937 [0,0,0,1,0,0|1,0,2]=4 15 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 SPC-i508 [0,0,0,1,0,0|1,0,2]=4 16 B8R1.23 O=C(O)C1CC(Cl)C1 SPC-h856 [0,0,0,1,0,0|1,0,2]=4 17 B8R1.23 O=C(O)C1CC(F)C1 SPC-a125 [0,0,0,1,0,0|1,0,2]=4 18 B8R1.23 O=C(O)C1CC(O)C1 SPC-p384 [0,0,0,1,0,0|1,0,2]=4 19 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 SPC-q739 [0,0,0,1,0,0|1,0,2]=4 20 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 SPC-h918 [0,0,0,1,0,0|1,0,2]=4 21 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 SPC-h952 [0,0,0,1,0,0|1,0,2]=4 22 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 SPC-q738 [0,0,0,1,0,0|1,0,2]=4 23 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 SPC-i654 [0,0,0,1,0,0|1,0,2]=4 24 B8R1.23 O=C1CC(C(=O)O)C1 SPC-g640 [0,0,0,1,0,0|1,0,1]=3 25 B8R1.23 O=C1C[C@@H](C(=O)O)N1 SPC-i679 [0,0,0,1,0,0|2,0,0]=3 26 B8R1.23 O=C1C[C@@H](C(=O)O)O1 SPC-u889 [0,0,0,1,0,0|2,0,0]=3 27 B8R1.23 O=C1C[C@H](C(=O)O)N1 SPC-i186 [0,0,0,1,0,0|2,0,0]=3 28 B8R1.35 O=C(O)\C=C\C1CC1 SPC-n055 [0,0,0,1,0,0|0,0,2]=3 29 B6R0.2 CC(C)CB(O)O SPC-r379 [0,0,0,0,1,0|1,0,2]=4 30 B8R0.28 CN(C)C\C=C\C(=O)O SPC-m774 [0,0,0,0,0,1|1,0,1]=3 31 B7R0.9 CC(C)(C)CC(=O)Cl SPC-v725 [0,1,0,0,1,0|1,0,1]=4 32 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O SPC-u852 [0,2,0,0,0,0|0,0,2]=4 33 B7R1.2 O=C1CCC(=O)C1 SPC-h715 [1,0,0,1,0,0|1,0,1]=4 34 B7R1.2 O=C1CNC(=O)C1 SPC-n497 [1,0,0,1,0,0|2,0,0]=4 35 B7R1.3 CC1=CCCNC1 SPC-m637 [1,0,0,1,0,0|1,0,1]=4 36 B7R1.3 CC1=CCNCC1 SPC-h455 [1,0,0,1,0,0|2,0,0]=4 37 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O SPC-v344 [1,0,0,1,0,0|0,0,2]=4 38 B7R1.12 C[C@@H]1C[C@H]1C(=O)O SPC-t366 [1,0,0,1,0,0|0,0,2]=4 39 B7R1.12 C[C@H]1C[C@H]1C(=O)O SPC-t640 [1,0,0,1,0,0|0,0,2]=4 40 B7R1.12 C[C@H]1C[C@H]1C(=O)O SPC-v485 [1,0,0,1,0,0|0,0,2]=4 41 B7R1.17 CC1(C)CCC1=O SPC-s190 [1,0,0,1,0,0|0,0,2]=4 42 B7R1.17 CC1(C)OCC1=O SPC-r001 [1,0,0,1,0,0|1,0,1]=4 43 B7R1.18 O=C(O)C1CCC1 SPC-a107 [1,0,0,1,0,0|0,0,2]=4 44 B7R1.18 O=C(O)C1CNC1 SPC-g671 [1,0,0,1,0,0|1,0,1]=4 45 B7R1.18 O=C(O)C1COC1 SPC-a017 [1,0,0,1,0,0|1,0,1]=4 46 B7R1.18 O=C(O)C1CSC1 SPC-a106 [1,0,0,1,0,0|1,0,1]=4 47 B7R1.18 O=C(O)[C@@H]1CCN1 SPC-g935 [1,0,0,1,0,0|1,0,1]=4 48 B7R1.18 O=C(O)[C@@H]1CCN1 SPC-h064 [1,0,0,1,0,0|1,0,1]=4 49 B7R1.18 O=C(O)[C@@H]1CCO1 SPC-a304 [1,0,0,1,0,0|1,0,1]=4 50 B7R1.18 O=C(O)[C@@H]1CCO1 SPC-u910 [1,0,0,1,0,0|1,0,1]=4 51 B7R1.18 O=C(O)[C@H]1CCN1 SPC-h200 [1,0,0,1,0,0|1,0,1]=4 52 B7R1.18 O=C(O)[C@H]1CCO1 SPC-u911 [1,0,0,1,0,0|1,0,1]=4 53 B7R1.20 O=C(O)CC1CC1 SPC-g479 [1,0,0,1,0,0|0,0,2]=4 54 B7R1.20 O=C(O)C[C@H]1CO1 SPC-v405 [1,0,0,1,0,0|1,0,1]=4 55 B7R1.16 CC1(C)CC(=O)C1 SPC-q743 [0,0,0,1,1,0|1,0,1]=4 56 B9R1.35 CC1=CSC(C(=O)O)=C1 SPC-n156 [0,0,0,1,0,1|0,0,2]=4 57 B9R1.35 CN1CC[C@@H](C(=O)O)C1 SPC-v096 [0,0,0,1,0,1|1,0,1]=4 58 B9R1.35 CN1CC[C@H](C(=O)O)C1 SPC-k848 [0,0,0,1,0,1|1,0,1]=4 59 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 SPC-h594 [0,0,0,1,0,1|1,0,1]=4 60 B9R1.35 O=C1CC[C@H](C(=O)O)C1 SPC-h678 [0,0,0,1,0,1|1,0,1]=4 61 B9R1.35 O=C1CC[C@H](C(=O)O)C1 SPC-k770 [0,0,0,1,0,1|1,0,1]=4 62 B9R1.35 O=C1CN[C@H](C(=O)O)C1 SPC-k492 [0,0,0,1,0,1|1,0,1]=4 63 B9R1.35 O=C1C[C@H](C(=O)O)CN1 SPC-j969 [0,0,0,1,0,1|1,0,1]=4 64 B9R1.53 O=C(O)CC1CC(=O)C1 SPC-p081 [0,0,0,1,0,1|1,0,1]=4 65 B9R1.166 CC1(C)CN[C@@H]1C(=O)O SPC-p136 [0,0,0,1,0,1|0,0,2]=4 66 B9R1.82 C=C1CC(C(=O)OC)C1 SPC-h791 [0,1,0,1,0,0|0,0,2]=4 67 B9R1.82 COC(=O)C1CC(=O)C1 SPC-g763 [0,1,0,1,0,0|1,0,1]=4 68 B9R1.84 O=C(O)CNC1COC1 SPC-a298 [0,1,0,1,0,0|1,0,1]=4 69 B9R1.84 O=C(O)\C=C\C1CCC1 SPC-u812 [0,1,0,1,0,0|0,0,2]=4 70 B9R1.95 COC1CC(C(=O)O)C1 SPC-i683 [0,1,0,1,0,0|0,0,2]=4 71 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 SPC-i655 [0,1,0,1,0,0|0,0,2]=4 72 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 SPC-i033 [0,1,0,1,0,0|0,0,2]=4 73 B9R1.95 NCC1CC(C(=O)O)C1 SPC-m330 [0,1,0,1,0,0|0,0,2]=4 74 B9R1.112 N[C@@H](CC1CC1)C(=O)O SPC-u403 [0,1,0,1,0,0|0,0,2]=4 75 B9R1.152 C=C1CC(C)(C(=O)O)C1 SPC-m876 [0,1,0,1,0,0|0,0,2]=4 76 B9R1.152 CC1(C(=O)O)CC(=O)C1 SPC-i556 [0,1,0,1,0,0|1,0,1]=4 77 B9R1.164 CC1(C)C=C(C(=O)O)C1 SPC-j758 [0,1,0,1,0,0|0,0,2]=4 78 B9R1.164 CC1(C)CC(C(=O)O)C1 SPC-h348 [0,1,0,1,0,0|0,0,2]=4 79 B9R1.164 CC1(O)CC(C(=O)O)C1 SPC-h988 [0,1,0,1,0,0|0,0,2]=4 80 B9R2.145 O=C(O)C12CC(C1)C2 SPC-a121 [0,0,0,2,0,0|0,0,2]=4 81 B9R2.143 O=C(O)[C@H]1CC12CC2 SPC-i461 [0,0,0,2,0,0|0,0,2]=4