0 B5R0.1 CCC[C@H](C)N SPC-k309 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.1 C[C@@H](N)CCO SPC-g658 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 C[C@H](N)CCO SPC-n760 [0,0,0,0,0,0|3,0,1]=4 3 B4R0.1 CC(=O)CN SPC-t886 [1,0,0,0,0,0|1,0,0]=2 4 B4R0.1 NC(=O)CI SPC-s873 [1,0,0,0,0,0|2,0,0]=3 5 B4R0.2 C=CCCO SPC-t137 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.1 CCOC(=O)C#N SPC-g163 [0,1,0,0,0,0|0,1,1]=3 7 B6R0.3 CC[C@@H](Br)C(=O)O SPC-t752 [0,1,0,0,0,0|2,0,0]=3 8 B6R0.3 CC[C@H](Br)C(=O)O SPC-t846 [0,1,0,0,0,0|2,0,0]=3 9 B6R0.3 CN[C@@H](C)C(=O)O SPC-s663 [0,1,0,0,0,0|3,0,0]=4 10 B6R0.3 CON(C)C(C)=O SPC-t100 [0,1,0,0,0,0|2,0,0]=3 11 B6R0.3 CO[C@@H](C)C(=O)O SPC-h233 [0,1,0,0,0,0|3,0,0]=4 12 B6R0.3 CO[C@@H](C)C(=O)O SPC-t778 [0,1,0,0,0,0|3,0,0]=4 13 B6R0.4 CC\C=C\C(=O)O SPC-t510 [0,1,0,0,0,0|2,0,0]=3 14 B6R1.2 C[C@@H]1CCCN1 SPC-n701 [0,0,0,1,0,0|2,0,1]=4 15 B6R1.2 C[C@H]1CCCN1 SPC-r295 [0,0,0,1,0,0|2,0,1]=4 16 B6R1.2 IC1=COCC1 SPC-t718 [0,0,0,1,0,0|3,0,0]=4 17 B6R1.2 IC1CCCC1 SPC-n407 [0,0,0,1,0,0|2,0,1]=4 18 B6R1.2 O=C1C=CCC1 SPC-g207 [0,0,0,1,0,0|1,0,1]=3 19 B6R1.2 O=C1C=CCO1 SPC-t619 [0,0,0,1,0,0|0,1,2]=4 20 B6R1.2 O=C1CCNC1 SPC-g182 [0,0,0,1,0,0|2,0,0]=3 21 B6R1.2 O=C1CCOC1 SPC-g234 [0,0,0,1,0,0|2,0,0]=3 22 B6R1.5 CC1CC(=O)C1 SPC-n075 [0,0,0,1,0,0|1,0,0]=2 23 B6R1.5 CN1CC(=O)C1 SPC-i955 [0,0,0,1,0,0|2,0,0]=3 24 B6R1.5 CN1CC(=O)C1 SPC-p044 [0,0,0,1,0,0|2,0,0]=3 25 B6R1.5 C[C@H]1C[C@@H](N)C1 SPC-t414 [0,0,0,1,0,0|2,0,1]=4 26 B6R1.5 NC1CC(=O)C1 SPC-g768 [0,0,0,1,0,0|2,0,0]=3 27 B6R1.5 O=C1CC(Br)C1 SPC-i596 [0,0,0,1,0,0|2,0,0]=3 28 B6R1.10 CC1(N)CCC1 SPC-h418 [0,0,0,1,0,0|2,0,1]=4 29 B6R1.10 N=S1(=O)CCC1 SPC-w058 [0,0,0,1,0,0|3,0,0]=4 30 B6R1.11 C[C@@H](N)C1CC1 SPC-v104 [0,0,0,1,0,0|2,0,1]=4 31 B6R1.11 C[C@H](N)C1CC1 SPC-n670 [0,0,0,1,0,0|2,0,1]=4 32 B6R1.11 NC(=O)C1CC1 SPC-t155 [0,0,0,1,0,0|2,0,0]=3 33 B5R0.3 C=C(CCl)CCl SPC-g310 [1,1,0,0,0,0|2,0,0]=4 34 B5R0.3 C=C(CO)CO SPC-g493 [1,1,0,0,0,0|2,0,0]=4 35 B7R0.5 CC(C)C(=O)OCCl SPC-n339 [0,2,0,0,0,0|1,1,0]=4 36 B7R0.5 CCOC(=O)C(N)=S SPC-m739 [0,2,0,0,0,0|0,1,1]=4 37 B7R0.5 CN(C)C(=O)CCN SPC-t561 [0,2,0,0,0,0|2,0,0]=4 38 B7R0.7 [C-]#[N+]CC(=O)OCC SPC-q003 [0,2,0,0,0,0|0,1,0]=3 39 B7R0.9 CC(C)(C)CC(=O)Cl SPC-v725 [0,2,0,0,0,0|2,0,0]=4 40 B7R0.9 CC(C)(C)OC(N)=O SPC-g052 [0,2,0,0,0,0|1,1,0]=4 41 B5R1.2 BrC1CCC1 SPC-p925 [1,0,0,1,0,0|1,0,1]=4 42 B5R1.2 C[C@H]1CCN1 SPC-i601 [1,0,0,1,0,0|1,0,1]=4 43 B5R1.2 IC1CCC1 SPC-t191 [1,0,0,1,0,0|1,0,1]=4 44 B5R1.2 NC1CCC1 SPC-a094 [1,0,0,1,0,0|1,0,1]=4 45 B5R1.2 O=C1CCN1 SPC-t120 [1,0,0,1,0,0|1,0,0]=3 46 B5R1.2 O=C1CNC1 SPC-h722 [1,0,0,1,0,0|1,0,0]=3 47 B5R1.2 O=C1CSC1 SPC-a100 [1,0,0,1,0,0|1,0,0]=3 48 B5R1.5 CC1(Br)CC1 SPC-m868 [1,0,0,1,0,0|1,0,1]=4 49 B5R1.5 CC1(N)CC1 SPC-q800 [1,0,0,1,0,0|1,0,1]=4 50 B5R1.5 CC1(O)CC1 SPC-m882 [1,0,0,1,0,0|0,0,2]=4 51 B7R1.1 BrCC1=CCCC1 SPC-n905 [0,1,0,1,0,0|2,0,0]=4 52 B7R1.2 C[C@@H]1CNC(=O)C1 SPC-r288 [0,1,0,1,0,0|1,0,0]=3 53 B7R1.2 C[C@H]1CNC(=O)C1 SPC-n787 [0,1,0,1,0,0|1,0,0]=3 54 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-m128 [0,1,0,1,0,0|1,0,0]=3 55 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-m129 [0,1,0,1,0,0|1,0,0]=3 56 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-m820 [0,1,0,1,0,0|1,0,0]=3 57 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-t534 [0,1,0,1,0,0|1,0,0]=3 58 B7R1.2 O=C1CCC(=O)C1 SPC-h715 [0,1,0,1,0,0|1,0,1]=4 59 B7R1.2 O=C1CC[C@H](O)C1 SPC-q537 [0,1,0,1,0,0|1,0,0]=3 60 B7R1.2 O=C1CNC(=O)C1 SPC-n497 [0,1,0,1,0,0|1,0,1]=4 61 B7R1.2 O=C1C[C@@H](O)CN1 SPC-s696 [0,1,0,1,0,0|1,0,0]=3 62 B7R1.2 O=C1C[C@@H](S)CN1 SPC-u488 [0,1,0,1,0,0|1,0,0]=3 63 B7R1.3 C=C1CCOCC1 SPC-m646 [0,1,0,1,0,0|2,0,0]=4 64 B7R1.3 CC1=CCCNC1 SPC-m637 [0,1,0,1,0,0|2,0,0]=4 65 B7R1.3 CC1=CCNCC1 SPC-h455 [0,1,0,1,0,0|2,0,0]=4 66 B7R1.3 O=C1C=CCOC1 SPC-s270 [0,1,0,1,0,0|1,0,1]=4 67 B7R1.3 O=C1CCCNC1 SPC-q237 [0,1,0,1,0,0|1,0,0]=3 68 B7R1.3 O=C1CCCOC1 SPC-g865 [0,1,0,1,0,0|0,1,0]=3 69 B7R1.3 O=C1CCCSC1 SPC-k221 [0,1,0,1,0,0|0,0,0]=2 70 B7R1.3 O=C1CCOCC1 SPC-g072 [0,1,0,1,0,0|1,0,0]=3 71 B7R1.3 O=C1CCSCC1 SPC-g130 [0,1,0,1,0,0|1,0,0]=3 72 B7R1.3 O=C1CNCCN1 SPC-g151 [0,1,0,1,0,0|1,0,0]=3 73 B7R1.3 O=C1COCCN1 SPC-g147 [0,1,0,1,0,0|1,0,0]=3 74 B7R1.4 N[C@H]1CCNC1=O SPC-u507 [0,1,0,1,0,0|1,0,0]=3 75 B7R1.4 N[C@H]1CCOC1=O SPC-s908 [0,1,0,1,0,0|0,1,0]=3 76 B7R1.8 O=C1CC[C@@H]1CO SPC-p096 [0,1,0,1,0,0|2,0,0]=4 77 B7R1.10 COC1CC(=O)C1 SPC-i084 [0,1,0,1,0,0|1,0,0]=3 78 B7R1.10 N#CC1CC(=O)C1 SPC-h767 [0,1,0,1,0,0|1,0,1]=4 79 B7R1.10 O=C1CC(CBr)C1 SPC-h451 [0,1,0,1,0,0|1,0,0]=3 80 B7R1.10 O=C1CC(CCl)C1 SPC-i140 [0,1,0,1,0,0|1,0,0]=3 81 B7R1.10 O=C1CC(CO)C1 SPC-h515 [0,1,0,1,0,0|1,0,0]=3 82 B7R1.10 O=C1C[C@H](CO)N1 SPC-t669 [0,1,0,1,0,0|1,0,0]=3 83 B7R1.22 NNC(=O)C1CC1 SPC-g371 [0,1,0,1,0,0|2,0,0]=4 84 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O SPC-v344 [0,1,0,1,0,0|2,0,0]=4 85 B7R1.12 C[C@@H]1C[C@H]1C(=O)O SPC-t366 [0,1,0,1,0,0|2,0,0]=4 86 B7R1.12 C[C@H]1C[C@H]1C(=O)O SPC-t640 [0,1,0,1,0,0|2,0,0]=4 87 B7R1.12 C[C@H]1C[C@H]1C(=O)O SPC-v485 [0,1,0,1,0,0|2,0,0]=4 88 B7R1.12 O=C(O)C1CC1F SPC-s871 [0,1,0,1,0,0|2,0,0]=4 89 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SPC-s015 [0,1,0,1,0,0|2,0,0]=4 90 B7R1.12 O=C(O)[C@@H]1C[C@H]1F SPC-s012 [0,1,0,1,0,0|2,0,0]=4 91 B7R1.12 O=C(O)[C@@H]1C[C@H]1F SPC-t365 [0,1,0,1,0,0|2,0,0]=4 92 B7R1.12 O=C(O)[C@H]1C[C@@H]1F SPC-s008 [0,1,0,1,0,0|2,0,0]=4 93 B7R1.12 O=C(O)[C@H]1C[C@H]1F SPC-s005 [0,1,0,1,0,0|2,0,0]=4 94 B7R1.12 O=C(O)[C@H]1C[C@H]1F SPC-t140 [0,1,0,1,0,0|2,0,0]=4 95 B7R1.16 CC1(C)CC(=O)C1 SPC-q743 [0,1,0,1,0,0|1,0,0]=3 96 B7R1.16 CC1(N)CC(=O)C1 SPC-s904 [0,1,0,1,0,0|1,0,0]=3 97 B7R1.16 O=C1CC(F)(F)C1 SPC-i439 [0,1,0,1,0,0|2,0,0]=4 98 B7R1.20 O=C(O)CC1CC1 SPC-g479 [0,1,0,1,0,0|2,0,0]=4 99 B7R1.20 O=C(O)C[C@H]1CO1 SPC-v405 [0,1,0,1,0,0|2,0,0]=4 100 B7R1.18 CC(=O)C1CCC1 SPC-h776 [0,1,0,1,0,0|1,0,0]=3 101 B7R1.18 CC(=O)C1COC1 SPC-r005 [0,1,0,1,0,0|1,0,0]=3 102 B7R1.18 NC(=O)C1CNC1 SPC-h816 [0,1,0,1,0,0|2,0,0]=4 103 B7R1.18 O=C(O)C1CCC1 SPC-a107 [0,1,0,1,0,0|2,0,0]=4 104 B7R1.18 O=C(O)C1CNC1 SPC-g671 [0,1,0,1,0,0|2,0,0]=4 105 B7R1.18 O=C(O)C1COC1 SPC-a017 [0,1,0,1,0,0|2,0,0]=4 106 B7R1.18 O=C(O)C1CSC1 SPC-a106 [0,1,0,1,0,0|2,0,0]=4 107 B7R1.18 O=C(O)[C@@H]1CCN1 SPC-g935 [0,1,0,1,0,0|2,0,0]=4 108 B7R1.18 O=C(O)[C@@H]1CCN1 SPC-h064 [0,1,0,1,0,0|2,0,0]=4 109 B7R1.18 O=C(O)[C@@H]1CCO1 SPC-a304 [0,1,0,1,0,0|1,1,0]=4 110 B7R1.18 O=C(O)[C@@H]1CCO1 SPC-u910 [0,1,0,1,0,0|1,1,0]=4 111 B7R1.18 O=C(O)[C@H]1CCN1 SPC-h200 [0,1,0,1,0,0|2,0,0]=4 112 B7R1.18 O=C(O)[C@H]1CCO1 SPC-u911 [0,1,0,1,0,0|1,1,0]=4 113 B7R1.19 CC1(C(=O)Cl)CC1 SPC-k249 [0,1,0,1,0,0|2,0,0]=4 114 B7R1.19 CC1(C(=O)O)CC1 SPC-j883 [0,1,0,1,0,0|2,0,0]=4 115 B7R1.19 NC(=O)C1(N)CC1 SPC-v236 [0,1,0,1,0,0|2,0,0]=4 116 B7R1.19 NC1(C(=O)O)CC1 SPC-k241 [0,1,0,1,0,0|2,0,0]=4 117 B7R1.19 O=C(O)C1(F)CC1 SPC-s779 [0,1,0,1,0,0|2,0,0]=4 118 B7R1.19 O=C(O)C1(O)CC1 SPC-g803 [0,1,0,1,0,0|2,0,0]=4 119 B7R1.14 N=S1(=O)CCCC1 SPC-w059 [0,1,0,1,0,0|2,0,0]=4