0 B6R0.1 CCOC(=O)C#N SPC-g163 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.1 CCC[C@H](C)N SPC-k309 [1,0,0,0,0,0|1,0,1]=3 2 B5R0.1 C[C@@H](N)CCO SPC-g658 [1,0,0,0,0,0|2,0,1]=4 3 B5R0.1 C[C@H](N)CCO SPC-n760 [1,0,0,0,0,0|2,0,1]=4 4 B7R0.5 CC(C)C(=O)OCCl SPC-n339 [0,1,0,0,0,0|3,0,0]=4 5 B7R0.5 CCOC(=O)C(N)=S SPC-m739 [0,1,0,0,0,0|3,0,0]=4 6 B7R0.5 CN(C)C(=O)CCN SPC-t561 [0,1,0,0,0,0|2,0,0]=3 7 B7R0.7 [C-]#[N+]CC(=O)OCC SPC-q003 [0,1,0,0,0,0|1,0,1]=3 8 B7R1.1 BrCC1=CCCC1 SPC-n905 [0,0,0,1,0,0|3,0,0]=4 9 B7R1.1 CO[C@@H]1CCNC1 SPC-h272 [0,0,0,1,0,0|2,0,1]=4 10 B7R1.1 CO[C@H]1CCNC1 SPC-h271 [0,0,0,1,0,0|2,0,1]=4 11 B7R1.1 CO[C@H]1CCNC1 SPC-h273 [0,0,0,1,0,0|2,0,1]=4 12 B7R1.2 C[C@@H]1CNC(=O)C1 SPC-r288 [0,0,0,1,0,0|1,0,0]=2 13 B7R1.2 C[C@H]1CNC(=O)C1 SPC-n787 [0,0,0,1,0,0|1,0,0]=2 14 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-m128 [0,0,0,1,0,0|2,0,0]=3 15 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-m129 [0,0,0,1,0,0|2,0,0]=3 16 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-m820 [0,0,0,1,0,0|2,0,0]=3 17 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-t534 [0,0,0,1,0,0|2,0,0]=3 18 B7R1.2 O=C1CCC(=O)C1 SPC-h715 [0,0,0,1,0,0|2,0,1]=4 19 B7R1.2 O=C1CC[C@H](O)C1 SPC-q537 [0,0,0,1,0,0|2,0,0]=3 20 B7R1.2 O=C1CNC(=O)C1 SPC-n497 [0,0,0,1,0,0|2,0,1]=4 21 B7R1.2 O=C1C[C@@H](O)CN1 SPC-s696 [0,0,0,1,0,0|2,0,0]=3 22 B7R1.2 O=C1C[C@@H](S)CN1 SPC-u488 [0,0,0,1,0,0|2,0,0]=3 23 B7R1.3 C=C1CCOCC1 SPC-m646 [0,0,0,1,0,0|3,0,0]=4 24 B7R1.3 CC1=CCCNC1 SPC-m637 [0,0,0,1,0,0|3,0,0]=4 25 B7R1.3 CC1=CCNCC1 SPC-h455 [0,0,0,1,0,0|3,0,0]=4 26 B7R1.3 C[C@@H]1CNCCO1 SPC-n699 [0,0,0,1,0,0|2,0,1]=4 27 B7R1.3 C[C@H]1CNCCO1 SPC-m798 [0,0,0,1,0,0|2,0,1]=4 28 B7R1.3 O=C1C=CCOC1 SPC-s270 [0,0,0,1,0,0|2,0,1]=4 29 B7R1.3 O=C1CCCNC1 SPC-q237 [0,0,0,1,0,0|2,0,0]=3 30 B7R1.3 O=C1CCCOC1 SPC-g865 [0,0,0,1,0,0|2,0,0]=3 31 B7R1.3 O=C1CCCSC1 SPC-k221 [0,0,0,1,0,0|2,0,0]=3 32 B7R1.3 O=C1CCOCC1 SPC-g072 [0,0,0,1,0,0|2,0,0]=3 33 B7R1.3 O=C1CCSCC1 SPC-g130 [0,0,0,1,0,0|2,0,0]=3 34 B7R1.3 O=C1CNCCN1 SPC-g151 [0,0,0,1,0,0|2,0,0]=3 35 B7R1.3 O=C1COCCN1 SPC-g147 [0,0,0,1,0,0|2,0,0]=3 36 B7R1.4 N[C@H]1CCNC1=O SPC-u507 [0,0,0,1,0,0|3,0,0]=4 37 B7R1.4 N[C@H]1CCOC1=O SPC-s908 [0,0,0,1,0,0|3,0,0]=4 38 B7R1.6 NCC[C@H]1CCO1 SPC-s809 [0,0,0,1,0,0|2,0,1]=4 39 B7R1.6 OCC[C@H]1CCO1 SPC-t605 [0,0,0,1,0,0|2,0,1]=4 40 B7R1.8 O=C1CC[C@@H]1CO SPC-p096 [0,0,0,1,0,0|2,0,0]=3 41 B7R1.10 COC1CC(N)C1 SPC-h655 [0,0,0,1,0,0|2,0,1]=4 42 B7R1.22 CC[C@H](N)C1CC1 SPC-n986 [0,0,0,1,0,0|2,0,1]=4 43 B7R1.22 NNC(=O)C1CC1 SPC-g371 [0,0,0,1,0,0|2,0,0]=3 44 B7R1.25 COC1(C)CNC1 SPC-i510 [0,0,0,1,0,0|2,0,1]=4 45 B4R0.1 CC(=O)CN SPC-t886 [2,0,0,0,0,0|1,0,0]=3 46 B4R0.1 NC(=O)CI SPC-s873 [2,0,0,0,0,0|2,0,0]=4 47 B4R0.2 C=CCCO SPC-t137 [2,0,0,0,0,0|1,0,1]=4 48 B6R0.2 CC(C)CB(O)O SPC-r379 [1,1,0,0,0,0|1,0,1]=4 49 B6R0.3 CC[C@@H](Br)C(=O)O SPC-t752 [1,1,0,0,0,0|0,0,0]=2 50 B6R0.3 CC[C@H](Br)C(=O)O SPC-t846 [1,1,0,0,0,0|0,0,0]=2 51 B6R0.3 CN[C@@H](C)C(=O)O SPC-s663 [1,1,0,0,0,0|1,0,0]=3 52 B6R0.3 CON(C)C(C)=O SPC-t100 [1,1,0,0,0,0|2,0,0]=4 53 B6R0.3 CO[C@@H](C)C(=O)O SPC-h233 [1,1,0,0,0,0|1,0,0]=3 54 B6R0.3 CO[C@@H](C)C(=O)O SPC-t778 [1,1,0,0,0,0|1,0,0]=3 55 B6R0.4 CC\C=C\C(=O)O SPC-t510 [1,1,0,0,0,0|0,0,1]=3 56 B8R0.1 CCC#CC(=O)OCC SPC-t629 [0,2,0,0,0,0|0,0,1]=3 57 B6R1.2 C[C@@H]1CCCN1 SPC-n701 [1,0,0,1,0,0|1,0,1]=4 58 B6R1.2 C[C@H]1CCCN1 SPC-r295 [1,0,0,1,0,0|1,0,1]=4 59 B6R1.2 IC1CCCC1 SPC-n407 [1,0,0,1,0,0|1,0,1]=4 60 B6R1.2 O=C1C=CCC1 SPC-g207 [1,0,0,1,0,0|0,0,2]=4 61 B6R1.2 O=C1C=CCO1 SPC-t619 [1,0,0,1,0,0|0,0,2]=4 62 B6R1.2 O=C1CCNC1 SPC-g182 [1,0,0,1,0,0|1,0,0]=3 63 B6R1.2 O=C1CCOC1 SPC-g234 [1,0,0,1,0,0|1,0,0]=3 64 B6R1.5 CC1CC(=O)C1 SPC-n075 [1,0,0,1,0,0|0,0,0]=2 65 B6R1.5 CN1CC(=O)C1 SPC-i955 [1,0,0,1,0,0|1,0,0]=3 66 B6R1.5 CN1CC(=O)C1 SPC-p044 [1,0,0,1,0,0|1,0,0]=3 67 B6R1.5 C[C@H]1C[C@@H](N)C1 SPC-t414 [1,0,0,1,0,0|1,0,1]=4 68 B6R1.5 NC1CC(=O)C1 SPC-g768 [1,0,0,1,0,0|1,0,0]=3 69 B6R1.5 O=C1CC(Br)C1 SPC-i596 [1,0,0,1,0,0|1,0,0]=3 70 B6R1.10 CC1(N)CCC1 SPC-h418 [1,0,0,1,0,0|1,0,1]=4 71 B6R1.10 N=S1(=O)CCC1 SPC-w058 [1,0,0,1,0,0|2,0,0]=4 72 B6R1.11 C[C@@H](N)C1CC1 SPC-v104 [1,0,0,1,0,0|1,0,1]=4 73 B6R1.11 C[C@H](N)C1CC1 SPC-n670 [1,0,0,1,0,0|1,0,1]=4 74 B6R1.11 NC(=O)C1CC1 SPC-t155 [1,0,0,1,0,0|1,0,0]=3 75 B6R1.11 OB(O)C1CC1 SPC-g438 [1,0,0,1,0,0|1,0,1]=4 76 B6R1.1 C1=CCNCC1 SPC-g659 [1,0,0,1,0,0|2,0,0]=4 77 B6R1.1 C1=CCOCC1 SPC-h047 [1,0,0,1,0,0|2,0,0]=4 78 B6R1.6 BrCC1COC1 SPC-i089 [1,0,0,1,0,0|1,0,1]=4 79 B6R1.6 CNC1COC1 SPC-a021 [1,0,0,1,0,0|1,0,1]=4 80 B6R1.6 COC1CNC1 SPC-g356 [1,0,0,1,0,0|1,0,1]=4 81 B6R1.6 ClCC1COC1 SPC-t682 [1,0,0,1,0,0|1,0,1]=4 82 B6R1.6 ICC1COC1 SPC-i045 [1,0,0,1,0,0|1,0,1]=4 83 B6R1.6 NCC1COC1 SPC-a020 [1,0,0,1,0,0|1,0,1]=4 84 B6R1.6 NCC1COC1 SPC-n824 [1,0,0,1,0,0|1,0,1]=4 85 B6R1.6 OCC1COC1 SPC-a076 [1,0,0,1,0,0|1,0,1]=4 86 B8R1.1 NC[C@@H]1CNC(=O)C1 SPC-m273 [0,1,0,1,0,0|1,0,0]=3 87 B8R1.1 NC[C@@H]1CNC(=O)C1 SPC-m274 [0,1,0,1,0,0|1,0,0]=3 88 B8R1.1 NC[C@@H]1CNC(=O)C1 SPC-p435 [0,1,0,1,0,0|1,0,0]=3 89 B8R1.1 NC[C@@H]1CNC(=O)O1 SPC-n802 [0,1,0,1,0,0|2,0,0]=4 90 B8R1.1 NC[C@H]1CNC(=O)C1 SPC-m271 [0,1,0,1,0,0|1,0,0]=3 91 B8R1.1 NC[C@H]1CNC(=O)C1 SPC-m272 [0,1,0,1,0,0|1,0,0]=3 92 B8R1.1 NC[C@H]1CNC(=O)O1 SPC-j887 [0,1,0,1,0,0|2,0,0]=4 93 B8R1.1 NC[C@H]1CNC(=O)O1 SPC-q943 [0,1,0,1,0,0|2,0,0]=4 94 B8R1.1 NC[C@H]1COC(=O)N1 SPC-p433 [0,1,0,1,0,0|1,0,0]=3 95 B8R1.1 O=C1CC[C@@H](CO)N1 SPC-g157 [0,1,0,1,0,0|2,0,0]=4 96 B8R1.1 O=C1CC[C@H](CO)N1 SPC-n804 [0,1,0,1,0,0|2,0,0]=4 97 B8R1.4 CC1CC(N)CCO1 SPC-m997 [0,1,0,1,0,0|1,0,1]=4 98 B8R1.4 CC1CC(O)CCO1 SPC-g891 [0,1,0,1,0,0|1,0,1]=4 99 B8R1.4 C[C@@H]1CC(=O)CCN1 SPC-j888 [0,1,0,1,0,0|1,0,0]=3 100 B8R1.4 C[C@@H]1CNCC(=O)N1 SPC-n811 [0,1,0,1,0,0|2,0,0]=4 101 B8R1.4 C[C@H]1CC(=O)CCN1 SPC-j895 [0,1,0,1,0,0|1,0,0]=3 102 B8R1.4 C[C@H]1CC(=O)CCN1 SPC-m537 [0,1,0,1,0,0|1,0,0]=3 103 B8R1.4 C[C@H]1CC(=O)CCN1 SPC-n719 [0,1,0,1,0,0|1,0,0]=3 104 B8R1.4 C[C@H]1CC(=O)CCO1 SPC-k855 [0,1,0,1,0,0|1,0,0]=3 105 B8R1.4 C[C@H]1CCNC(=O)C1 SPC-p144 [0,1,0,1,0,0|1,0,0]=3 106 B8R1.4 C[C@H]1CNCC(=O)N1 SPC-n812 [0,1,0,1,0,0|2,0,0]=4 107 B8R1.4 N[C@@H]1COCC(=O)C1 SPC-u616 [0,1,0,1,0,0|1,0,0]=3 108 B8R1.4 N[C@H]1CCNC(=O)C1 SPC-j029 [0,1,0,1,0,0|1,0,0]=3 109 B8R1.4 O=C1CCC[C@H](O)C1 SPC-p385 [0,1,0,1,0,0|1,0,0]=3 110 B8R1.4 O=C1CCNC(=O)C1 SPC-g649 [0,1,0,1,0,0|1,0,1]=4 111 B8R1.4 O=C1COCC(=O)C1 SPC-k937 [0,1,0,1,0,0|1,0,1]=4 112 B8R1.18 CC1=CC(=O)O[C@@H]1O SPC-s367 [0,1,0,1,0,0|0,0,2]=4 113 B8R1.18 CN1C[C@@H](N)CC1=O SPC-p485 [0,1,0,1,0,0|1,0,0]=3 114 B8R1.40 COC(=O)CC1CC1 SPC-k723 [0,1,0,1,0,0|0,0,0]=2 115 B8R1.51 CC1(C)COC(=O)N1 SPC-k094 [0,1,0,1,0,0|1,0,0]=3 116 B8R1.2 BrCC1=CCCCC1 SPC-j295 [0,1,0,1,0,0|2,0,0]=4 117 B8R1.2 COC1CCNCC1 SPC-g777 [0,1,0,1,0,0|1,0,1]=4 118 B8R1.2 COC1CCNCC1 SPC-n150 [0,1,0,1,0,0|1,0,1]=4 119 B8R1.2 CO[C@@H]1CCCNC1 SPC-r030 [0,1,0,1,0,0|1,0,1]=4 120 B8R1.2 CO[C@H]1CCCNC1 SPC-h111 [0,1,0,1,0,0|1,0,1]=4 121 B8R1.2 CO[C@H]1CCCNC1 SPC-j189 [0,1,0,1,0,0|1,0,1]=4 122 B8R1.2 OC[C@@H]1CCCCO1 SPC-v087 [0,1,0,1,0,0|0,0,2]=4 123 B8R1.2 OC[C@H]1CCCCO1 SPC-s718 [0,1,0,1,0,0|0,0,2]=4 124 B8R1.2 OC[C@H]1CCCCO1 SPC-v058 [0,1,0,1,0,0|0,0,2]=4 125 B8R1.3 C[C@@H]1C=CC(=O)CC1 SPC-s978 [0,1,0,1,0,0|1,0,1]=4 126 B8R1.3 C[C@@H]1CNC(=O)CN1 SPC-u069 [0,1,0,1,0,0|1,0,0]=3 127 B8R1.3 C[C@H]1CCC(=O)NC1 SPC-p145 [0,1,0,1,0,0|1,0,0]=3 128 B8R1.3 C[C@H]1CNC(=O)CN1 SPC-n806 [0,1,0,1,0,0|1,0,0]=3 129 B8R1.3 N[C@@H]1CCC(=O)NC1 SPC-r045 [0,1,0,1,0,0|1,0,0]=3 130 B8R1.3 N[C@H]1CCC(=O)NC1 SPC-h503 [0,1,0,1,0,0|1,0,0]=3 131 B8R1.3 N[C@H]1CCC(=O)NC1 SPC-r044 [0,1,0,1,0,0|1,0,0]=3 132 B8R1.3 O=C1CCC(F)CC1 SPC-u525 [0,1,0,1,0,0|1,0,0]=3 133 B8R1.5 CN1CCNCC1=O SPC-j564 [0,1,0,1,0,0|1,0,0]=3 134 B8R1.5 CN1CCNCC1=O SPC-r023 [0,1,0,1,0,0|1,0,0]=3 135 B8R1.5 C[C@H]1CNCCC1=O SPC-n076 [0,1,0,1,0,0|1,0,0]=3 136 B8R1.5 C[C@H]1COCCC1=O SPC-p410 [0,1,0,1,0,0|1,0,0]=3 137 B8R1.5 O=C1CCNC[C@@H]1F SPC-g858 [0,1,0,1,0,0|2,0,0]=4 138 B8R1.5 O=C1CCOC[C@@H]1Br SPC-h143 [0,1,0,1,0,0|2,0,0]=4 139 B8R1.5 O=C1CCOC[C@@H]1F SPC-p380 [0,1,0,1,0,0|2,0,0]=4 140 B8R1.22 O=C1CCNCCN1 SPC-q669 [0,1,0,1,0,0|1,0,0]=3 141 B8R1.38 COC(=O)C1CNC1 SPC-g203 [0,1,0,1,0,0|0,0,0]=2 142 B8R1.38 COC(=O)C1COC1 SPC-i614 [0,1,0,1,0,0|0,0,0]=2 143 B8R1.38 COC(=O)[C@@H]1CCN1 SPC-h839 [0,1,0,1,0,0|0,0,0]=2 144 B8R1.38 COC(=O)[C@@H]1CCN1 SPC-m118 [0,1,0,1,0,0|0,0,0]=2 145 B8R1.38 COC(=O)[C@H]1CCN1 SPC-h849 [0,1,0,1,0,0|0,0,0]=2 146 B8R1.38 O=C(CBr)C1CCC1 SPC-t926 [0,1,0,1,0,0|2,0,0]=4 147 B8R1.47 CO[C@H]1C[C@@H](CN)C1 SPC-q755 [0,1,0,1,0,0|1,0,1]=4 148 B8R1.50 CN1CC[C@@H](N)C1=O SPC-v521 [0,1,0,1,0,0|1,0,0]=3 149 B8R1.19 CC1(C)CCCC1=O SPC-q787 [0,1,0,1,0,0|1,0,0]=3 150 B8R1.19 CC1(C)OCCC1=O SPC-v121 [0,1,0,1,0,0|2,0,0]=4 151 B8R1.37 CCCC(=O)C1CC1 SPC-u760 [0,1,0,1,0,0|1,0,0]=3 152 B8R1.37 CCOC(=O)[C@@H]1CO1 SPC-g805 [0,1,0,1,0,0|1,0,0]=3 153 B8R1.54 C[C@H](Br)C(=O)C1CC1 SPC-p141 [0,1,0,1,0,0|1,0,0]=3 154 B8R1.8 COC[C@@H]1CCCN1 SPC-t889 [0,1,0,1,0,0|1,0,1]=4 155 B8R1.11 N#C[C@H]1COCC1=O SPC-p597 [0,1,0,1,0,0|1,0,1]=4 156 B8R1.11 O=C1NCC[C@@H]1CO SPC-k007 [0,1,0,1,0,0|2,0,0]=4 157 B8R1.39 COC(=O)C1(Br)CC1 SPC-t196 [0,1,0,1,0,0|0,0,0]=2 158 B8R1.39 COC(=O)C1(N)CC1 SPC-n419 [0,1,0,1,0,0|0,0,0]=2 159 B8R1.39 COC(=O)C1(O)CC1 SPC-g901 [0,1,0,1,0,0|0,0,0]=2 160 B8R1.72 N=S1(=O)CCCCC1 SPC-w060 [0,1,0,1,0,0|2,0,0]=4 161 B8R2.19 O=C1CCC12CC2 SPC-t255 [0,0,0,2,0,0|1,0,0]=3