0 B6R0.2 CC(C)CB(O)O SPC-r379 [1,0,0,0,0,0|1,0,1]=3 1 B6R0.4 CC\C=C\C(=O)O SPC-t510 [1,0,0,0,0,0|0,0,2]=3 2 B8R0.24 CC[C@H](C)OS(C)(=O)=O SPC-h833 [0,1,0,0,0,0|2,0,1]=4 3 B8R1.1 NC[C@@H]1CNC(=O)C1 SPC-m273 [0,0,0,1,0,0|2,0,0]=3 4 B8R1.1 NC[C@@H]1CNC(=O)C1 SPC-m274 [0,0,0,1,0,0|2,0,0]=3 5 B8R1.1 NC[C@@H]1CNC(=O)C1 SPC-p435 [0,0,0,1,0,0|2,0,0]=3 6 B8R1.1 NC[C@@H]1CNC(=O)O1 SPC-n802 [0,0,0,1,0,0|3,0,0]=4 7 B8R1.1 NC[C@H]1CNC(=O)C1 SPC-m271 [0,0,0,1,0,0|2,0,0]=3 8 B8R1.1 NC[C@H]1CNC(=O)C1 SPC-m272 [0,0,0,1,0,0|2,0,0]=3 9 B8R1.1 NC[C@H]1CNC(=O)O1 SPC-j887 [0,0,0,1,0,0|3,0,0]=4 10 B8R1.1 NC[C@H]1CNC(=O)O1 SPC-q943 [0,0,0,1,0,0|3,0,0]=4 11 B8R1.1 NC[C@H]1COC(=O)N1 SPC-p433 [0,0,0,1,0,0|2,0,0]=3 12 B8R1.1 O=C1CC[C@@H](CO)N1 SPC-g157 [0,0,0,1,0,0|3,0,0]=4 13 B8R1.1 O=C1CC[C@H](CO)N1 SPC-n804 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.4 CC1CC(N)CCO1 SPC-m997 [0,0,0,1,0,0|2,0,1]=4 15 B8R1.4 CC1CC(O)CCN1 SPC-p253 [0,0,0,1,0,0|2,0,1]=4 16 B8R1.4 CC1CC(O)CCN1 SPC-r050 [0,0,0,1,0,0|2,0,1]=4 17 B8R1.4 CC1CC(O)CCO1 SPC-g891 [0,0,0,1,0,0|2,0,1]=4 18 B8R1.4 CN1CCC[C@@H](O)C1 SPC-j194 [0,0,0,1,0,0|2,0,1]=4 19 B8R1.4 CN1CCC[C@H](O)C1 SPC-j195 [0,0,0,1,0,0|2,0,1]=4 20 B8R1.4 C[C@@H]1CC(=O)CCN1 SPC-j888 [0,0,0,1,0,0|2,0,0]=3 21 B8R1.4 C[C@@H]1CNCC(=O)N1 SPC-n811 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.4 C[C@@H]1C[C@H](O)CCN1 SPC-m097 [0,0,0,1,0,0|2,0,1]=4 23 B8R1.4 C[C@H]1CC(=O)CCN1 SPC-j895 [0,0,0,1,0,0|2,0,0]=3 24 B8R1.4 C[C@H]1CC(=O)CCN1 SPC-m537 [0,0,0,1,0,0|2,0,0]=3 25 B8R1.4 C[C@H]1CC(=O)CCN1 SPC-n719 [0,0,0,1,0,0|2,0,0]=3 26 B8R1.4 C[C@H]1CC(=O)CCO1 SPC-k855 [0,0,0,1,0,0|2,0,0]=3 27 B8R1.4 C[C@H]1CCNC(=O)C1 SPC-p144 [0,0,0,1,0,0|1,0,0]=2 28 B8R1.4 C[C@H]1CNCC(=O)N1 SPC-n812 [0,0,0,1,0,0|3,0,0]=4 29 B8R1.4 C[C@H]1C[C@@H](O)CCN1 SPC-u060 [0,0,0,1,0,0|2,0,1]=4 30 B8R1.4 N[C@@H]1COCC(=O)C1 SPC-u616 [0,0,0,1,0,0|3,0,0]=4 31 B8R1.4 N[C@H]1CCC[C@H](O)C1 SPC-n635 [0,0,0,1,0,0|2,0,1]=4 32 B8R1.4 N[C@H]1CCNC(=O)C1 SPC-j029 [0,0,0,1,0,0|2,0,0]=3 33 B8R1.4 O=C1CCC[C@H](O)C1 SPC-p385 [0,0,0,1,0,0|2,0,0]=3 34 B8R1.4 O=C1CCNC(=O)C1 SPC-g649 [0,0,0,1,0,0|2,0,1]=4 35 B8R1.18 CC1=CC(=O)O[C@@H]1O SPC-s367 [0,0,0,1,0,0|1,0,2]=4 36 B8R1.31 CC1NCC1C(=O)O SPC-i198 [0,0,0,1,0,0|1,0,0]=2 37 B8R1.31 CC1NCC1C(=O)O SPC-i198 [0,0,0,1,0,0|1,0,0]=2 38 B8R1.31 CN1CC[C@@H]1C(=O)O SPC-i181 [0,0,0,1,0,0|1,0,0]=2 39 B8R1.31 CN1CC[C@H]1C(=O)O SPC-p175 [0,0,0,1,0,0|1,0,0]=2 40 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O SPC-p138 [0,0,0,1,0,0|1,0,0]=2 41 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O SPC-v548 [0,0,0,1,0,0|1,0,0]=2 42 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O SPC-i928 [0,0,0,1,0,0|1,0,0]=2 43 B8R1.31 N[C@H]1CC[C@H]1C(=O)O SPC-i929 [0,0,0,1,0,0|1,0,0]=2 44 B8R1.34 CC(=O)NC1CNC1 SPC-h896 [0,0,0,1,0,0|3,0,0]=4 45 B8R1.34 O=C(O)C=C1CCC1 SPC-h901 [0,0,0,1,0,0|0,0,2]=3 46 B8R1.34 O=C(O)CC1CCC1 SPC-a096 [0,0,0,1,0,0|0,0,0]=1 47 B8R1.34 O=C(O)CC1CNC1 SPC-h769 [0,0,0,1,0,0|1,0,0]=2 48 B8R1.34 O=C(O)CC1COC1 SPC-a018 [0,0,0,1,0,0|1,0,0]=2 49 B8R1.34 O=[N+]([O-])CC1COC1 SPC-a006 [0,0,0,1,0,0|2,0,1]=4 50 B8R1.43 N#CC1CC1C(=O)O SPC-t815 [0,0,0,1,0,0|1,0,1]=3 51 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O SPC-q468 [0,0,0,1,0,0|1,0,1]=3 52 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O SPC-k256 [0,0,0,1,0,0|1,0,1]=3 53 B8R1.43 NCC1CC1C(=O)O SPC-v399 [0,0,0,1,0,0|1,0,0]=2 54 B8R1.53 CC1(O)CC(CN)C1 SPC-u218 [0,0,0,1,0,0|2,0,1]=4 55 B8R1.53 C[C@]1(O)C[C@@H](CN)C1 SPC-w124 [0,0,0,1,0,0|2,0,1]=4 56 B8R1.53 C[C@]1(O)C[C@H](CN)C1 SPC-w123 [0,0,0,1,0,0|2,0,1]=4 57 B8R1.53 NCC1CS(=O)(=O)C1 SPC-a455 [0,0,0,1,0,0|2,0,1]=4 58 B8R1.62 CC1(C#N)CC(=O)C1 SPC-p039 [0,0,0,1,0,0|2,0,1]=4 59 B8R1.62 CC1(CO)CC(=O)C1 SPC-i173 [0,0,0,1,0,0|2,0,0]=3 60 B6R0.3 CC[C@@H](Br)C(=O)O SPC-t752 [0,0,0,0,1,0|1,0,0]=2 61 B6R0.3 CC[C@H](Br)C(=O)O SPC-t846 [0,0,0,0,1,0|1,0,0]=2 62 B6R0.3 CN[C@@H](C)C(=O)O SPC-s663 [0,0,0,0,1,0|1,0,0]=2 63 B6R0.3 CON(C)C(C)=O SPC-t100 [0,0,0,0,1,0|3,0,0]=4 64 B6R0.3 CO[C@@H](C)C(=O)O SPC-h233 [0,0,0,0,1,0|1,0,0]=2 65 B6R0.3 CO[C@@H](C)C(=O)O SPC-t778 [0,0,0,0,1,0|1,0,0]=2 66 B5R0.1 C[C@@H](N)CCO SPC-g658 [2,0,0,0,0,0|1,0,1]=4 67 B5R0.1 C[C@H](N)CCO SPC-n760 [2,0,0,0,0,0|1,0,1]=4 68 B5R0.3 NC[C@@H](F)CO SPC-s654 [2,0,0,0,0,0|2,0,0]=4 69 B5R0.3 NC[C@H](F)CO SPC-s667 [2,0,0,0,0,0|2,0,0]=4 70 B7R0.9 CC(C)(C)CC(=O)Cl SPC-v725 [1,1,0,0,0,0|1,0,0]=3 71 B7R0.9 CC(C)(C)OC(N)=O SPC-g052 [1,1,0,0,0,0|2,0,0]=4 72 B7R0.9 O=C(O)CC(F)(F)F SPC-s255 [1,1,0,0,0,0|2,0,0]=4 73 B7R0.13 CC(C)(CN)C(N)=O SPC-m731 [0,1,0,0,1,0|2,0,0]=4 74 B7R1.1 BrC[C@H]1CCOC1 SPC-h480 [1,0,0,1,0,0|1,0,1]=4 75 B7R1.1 CC[C@@H]1CCNC1 SPC-m807 [1,0,0,1,0,0|1,0,1]=4 76 B7R1.1 CC[C@H]1CCNC1 SPC-m813 [1,0,0,1,0,0|1,0,1]=4 77 B7R1.1 CN[C@@H]1CCOC1 SPC-u441 [1,0,0,1,0,0|1,0,1]=4 78 B7R1.1 CN[C@H]1CCOC1 SPC-j154 [1,0,0,1,0,0|1,0,1]=4 79 B7R1.1 CN[C@H]1CCOC1 SPC-t742 [1,0,0,1,0,0|1,0,1]=4 80 B7R1.1 IC[C@H]1CCOC1 SPC-j340 [1,0,0,1,0,0|1,0,1]=4 81 B7R1.1 NC[C@@H]1CCOC1 SPC-j343 [1,0,0,1,0,0|1,0,1]=4 82 B7R1.1 NC[C@@H]1CCOC1 SPC-j344 [1,0,0,1,0,0|1,0,1]=4 83 B7R1.1 NC[C@H]1CCOC1 SPC-g368 [1,0,0,1,0,0|1,0,1]=4 84 B7R1.1 NC[C@H]1CCOC1 SPC-g369 [1,0,0,1,0,0|1,0,1]=4 85 B7R1.1 NC[C@H]1CCOC1 SPC-j341 [1,0,0,1,0,0|1,0,1]=4 86 B7R1.1 OCC1CC=CC1 SPC-m309 [1,0,0,1,0,0|2,0,0]=4 87 B7R1.1 OC[C@@H]1CCOC1 SPC-h734 [1,0,0,1,0,0|1,0,1]=4 88 B7R1.1 OC[C@H]1CCOC1 SPC-j339 [1,0,0,1,0,0|1,0,1]=4 89 B7R1.1 OC[C@H]1CCOC1 SPC-n475 [1,0,0,1,0,0|1,0,1]=4 90 B7R1.2 CN1CC[C@@H](O)C1 SPC-j193 [1,0,0,1,0,0|1,0,1]=4 91 B7R1.2 CN1CC[C@H](O)C1 SPC-j192 [1,0,0,1,0,0|1,0,1]=4 92 B7R1.2 C[C@@H]1CNC(=O)C1 SPC-r288 [1,0,0,1,0,0|1,0,0]=3 93 B7R1.2 C[C@@H]1C[C@H](O)CN1 SPC-q565 [1,0,0,1,0,0|1,0,1]=4 94 B7R1.2 C[C@H]1CNC(=O)C1 SPC-n787 [1,0,0,1,0,0|1,0,0]=3 95 B7R1.2 C[C@H]1C[C@@H](O)CN1 SPC-r278 [1,0,0,1,0,0|1,0,1]=4 96 B7R1.2 C[C@H]1C[C@H](O)CN1 SPC-n775 [1,0,0,1,0,0|1,0,1]=4 97 B7R1.2 NC1CCC(O)C1 SPC-k139 [1,0,0,1,0,0|1,0,1]=4 98 B7R1.2 N[C@@H]1CC[C@@H](O)C1 SPC-m760 [1,0,0,1,0,0|1,0,1]=4 99 B7R1.2 N[C@@H]1CC[C@H](O)C1 SPC-m283 [1,0,0,1,0,0|1,0,1]=4 100 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-m128 [1,0,0,1,0,0|2,0,0]=4 101 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-m129 [1,0,0,1,0,0|2,0,0]=4 102 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-m820 [1,0,0,1,0,0|2,0,0]=4 103 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-t534 [1,0,0,1,0,0|2,0,0]=4 104 B7R1.2 N[C@H]1CC[C@@H](O)C1 SPC-m402 [1,0,0,1,0,0|1,0,1]=4 105 B7R1.2 N[C@H]1CC[C@H](O)C1 SPC-m401 [1,0,0,1,0,0|1,0,1]=4 106 B7R1.2 O=C1CCC(=O)C1 SPC-h715 [1,0,0,1,0,0|1,0,1]=4 107 B7R1.2 O=C1CC[C@H](O)C1 SPC-q537 [1,0,0,1,0,0|1,0,0]=3 108 B7R1.2 O=C1C[C@@H](O)CN1 SPC-s696 [1,0,0,1,0,0|2,0,0]=4 109 B7R1.2 O=C1C[C@@H](S)CN1 SPC-u488 [1,0,0,1,0,0|2,0,0]=4 110 B7R1.2 OC1CCC(O)C1 SPC-n357 [1,0,0,1,0,0|1,0,1]=4 111 B7R1.2 O[C@@H]1CC[C@@H](O)C1 SPC-s639 [1,0,0,1,0,0|1,0,1]=4 112 B7R1.2 O[C@H]1CC[C@@H](O)C1 SPC-q785 [1,0,0,1,0,0|1,0,1]=4 113 B7R1.3 BrC1CCOCC1 SPC-g434 [1,0,0,1,0,0|1,0,1]=4 114 B7R1.3 IC1CCOCC1 SPC-g782 [1,0,0,1,0,0|1,0,1]=4 115 B7R1.3 NC1CCOCC1 SPC-g166 [1,0,0,1,0,0|1,0,1]=4 116 B7R1.3 OC1CCOCC1 SPC-g695 [1,0,0,1,0,0|1,0,1]=4 117 B7R1.4 CC1CNCC1C SPC-t668 [1,0,0,1,0,0|2,0,0]=4 118 B7R1.6 C=CCC1CNC1 SPC-i312 [1,0,0,1,0,0|2,0,0]=4 119 B7R1.6 NCCC1CCC1 SPC-p217 [1,0,0,1,0,0|1,0,1]=4 120 B7R1.6 NNCC1CCC1 SPC-n354 [1,0,0,1,0,0|2,0,0]=4 121 B7R1.6 OCCC1CNC1 SPC-a312 [1,0,0,1,0,0|1,0,1]=4 122 B7R1.6 OCCC1CNC1 SPC-q679 [1,0,0,1,0,0|1,0,1]=4 123 B7R1.6 OCCC1COC1 SPC-a030 [1,0,0,1,0,0|1,0,1]=4 124 B7R1.6 OCC[C@H]1CCO1 SPC-t605 [1,0,0,1,0,0|1,0,1]=4 125 B7R1.8 CN1CC[C@@H]1CO SPC-v650 [1,0,0,1,0,0|1,0,1]=4 126 B7R1.10 CCN1CC(O)C1 SPC-i868 [1,0,0,1,0,0|1,0,1]=4 127 B7R1.10 CN[C@H]1C[C@H](O)C1 SPC-i936 [1,0,0,1,0,0|1,0,1]=4 128 B7R1.10 COC1CC(=O)C1 SPC-i084 [1,0,0,1,0,0|1,0,0]=3 129 B7R1.10 N#CC1CC(=O)C1 SPC-h767 [1,0,0,1,0,0|1,0,1]=4 130 B7R1.10 NCC1CC(O)C1 SPC-i622 [1,0,0,1,0,0|1,0,1]=4 131 B7R1.10 NC[C@H]1C[C@@H](O)C1 SPC-h960 [1,0,0,1,0,0|1,0,1]=4 132 B7R1.10 NC[C@H]1C[C@H](O)C1 SPC-h558 [1,0,0,1,0,0|1,0,1]=4 133 B7R1.10 O=C1CC(CBr)C1 SPC-h451 [1,0,0,1,0,0|1,0,0]=3 134 B7R1.10 O=C1CC(CCl)C1 SPC-i140 [1,0,0,1,0,0|1,0,0]=3 135 B7R1.10 O=C1CC(CO)C1 SPC-h515 [1,0,0,1,0,0|1,0,0]=3 136 B7R1.10 O=C1C[C@H](CO)N1 SPC-t669 [1,0,0,1,0,0|2,0,0]=4 137 B7R1.10 OCC1CC(O)C1 SPC-v198 [1,0,0,1,0,0|1,0,1]=4 138 B7R1.21 CC1(CCO)CC1 SPC-p066 [1,0,0,1,0,0|0,0,1]=3 139 B7R1.21 OCCC1(O)CC1 SPC-t472 [1,0,0,1,0,0|1,0,1]=4 140 B7R1.25 C[C@]1(CO)CCO1 SPC-v359 [1,0,0,1,0,0|1,0,1]=4 141 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O SPC-v344 [1,0,0,1,0,0|0,0,0]=2 142 B7R1.12 C[C@@H]1C[C@H]1C(=O)O SPC-t366 [1,0,0,1,0,0|0,0,0]=2 143 B7R1.12 C[C@H]1C[C@H]1C(=O)O SPC-t640 [1,0,0,1,0,0|0,0,0]=2 144 B7R1.12 C[C@H]1C[C@H]1C(=O)O SPC-v485 [1,0,0,1,0,0|0,0,0]=2 145 B7R1.12 O=C(O)C1CC1F SPC-s871 [1,0,0,1,0,0|1,0,0]=3 146 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SPC-s015 [1,0,0,1,0,0|1,0,0]=3 147 B7R1.12 O=C(O)[C@@H]1C[C@H]1F SPC-s012 [1,0,0,1,0,0|1,0,0]=3 148 B7R1.12 O=C(O)[C@@H]1C[C@H]1F SPC-t365 [1,0,0,1,0,0|1,0,0]=3 149 B7R1.12 O=C(O)[C@H]1C[C@@H]1F SPC-s008 [1,0,0,1,0,0|1,0,0]=3 150 B7R1.12 O=C(O)[C@H]1C[C@H]1F SPC-s005 [1,0,0,1,0,0|1,0,0]=3 151 B7R1.12 O=C(O)[C@H]1C[C@H]1F SPC-t140 [1,0,0,1,0,0|1,0,0]=3 152 B7R1.16 CC1(C)CC(=O)C1 SPC-q743 [1,0,0,1,0,0|1,0,0]=3 153 B7R1.16 CC1(C)CC(O)C1 SPC-s261 [1,0,0,1,0,0|1,0,1]=4 154 B7R1.16 CC1(N)CC(=O)C1 SPC-s904 [1,0,0,1,0,0|2,0,0]=4 155 B7R1.20 O=C(O)CC1CC1 SPC-g479 [1,0,0,1,0,0|0,0,0]=2 156 B7R1.20 O=C(O)C[C@H]1CO1 SPC-v405 [1,0,0,1,0,0|1,0,0]=3 157 B7R1.14 N=S1(=O)CCCC1 SPC-w059 [1,0,0,1,0,0|2,0,0]=4 158 B7R1.18 CC(=O)C1CCC1 SPC-h776 [1,0,0,1,0,0|1,0,0]=3 159 B7R1.18 CC(=O)C1COC1 SPC-r005 [1,0,0,1,0,0|2,0,0]=4 160 B7R1.18 C[C@H](O)C1CCC1 SPC-u195 [1,0,0,1,0,0|1,0,1]=4 161 B7R1.18 N=C(N)C1CCC1 SPC-h880 [1,0,0,1,0,0|2,0,0]=4 162 B7R1.18 NC(=O)C1CNC1 SPC-h816 [1,0,0,1,0,0|2,0,0]=4 163 B7R1.18 O=C(O)C1CCC1 SPC-a107 [1,0,0,1,0,0|0,0,0]=2 164 B7R1.18 O=C(O)C1CNC1 SPC-g671 [1,0,0,1,0,0|1,0,0]=3 165 B7R1.18 O=C(O)C1COC1 SPC-a017 [1,0,0,1,0,0|1,0,0]=3 166 B7R1.18 O=C(O)C1CSC1 SPC-a106 [1,0,0,1,0,0|1,0,0]=3 167 B7R1.18 O=C(O)[C@@H]1CCN1 SPC-g935 [1,0,0,1,0,0|1,0,0]=3 168 B7R1.18 O=C(O)[C@@H]1CCN1 SPC-h064 [1,0,0,1,0,0|1,0,0]=3 169 B7R1.18 O=C(O)[C@@H]1CCO1 SPC-a304 [1,0,0,1,0,0|1,0,0]=3 170 B7R1.18 O=C(O)[C@@H]1CCO1 SPC-u910 [1,0,0,1,0,0|1,0,0]=3 171 B7R1.18 O=C(O)[C@H]1CCN1 SPC-h200 [1,0,0,1,0,0|1,0,0]=3 172 B7R1.18 O=C(O)[C@H]1CCO1 SPC-u911 [1,0,0,1,0,0|1,0,0]=3 173 B7R1.19 CC1(C(=O)Cl)CC1 SPC-k249 [0,0,0,1,1,0|1,0,0]=3 174 B7R1.19 CC1(C(=O)O)CC1 SPC-j883 [0,0,0,1,1,0|0,0,0]=2 175 B7R1.19 NC(=O)C1(N)CC1 SPC-v236 [0,0,0,1,1,0|2,0,0]=4 176 B7R1.19 NC1(C(=O)O)CC1 SPC-k241 [0,0,0,1,1,0|1,0,0]=3 177 B7R1.19 O=C(O)C1(F)CC1 SPC-s779 [0,0,0,1,1,0|1,0,0]=3 178 B7R1.19 O=C(O)C1(O)CC1 SPC-g803 [0,0,0,1,1,0|1,0,0]=3 179 B9R1.1 NC[C@H]1CCC(=O)NC1 SPC-n169 [0,0,0,1,0,1|2,0,0]=4 180 B9R1.1 O=C1CO[C@@H](CO)CN1 SPC-u038 [0,0,0,1,0,1|2,0,0]=4 181 B9R1.1 O=C1CO[C@H](CO)CN1 SPC-v317 [0,0,0,1,0,1|2,0,0]=4 182 B9R1.35 CC(=O)N1CC[C@@H](O)C1 SPC-k184 [0,0,0,1,0,1|2,0,0]=4 183 B9R1.35 CC(=O)N1CC[C@H](N)C1 SPC-u453 [0,0,0,1,0,1|2,0,0]=4 184 B9R1.35 CN1CC[C@@H](C(=O)O)C1 SPC-v096 [0,0,0,1,0,1|1,0,0]=3 185 B9R1.35 CN1CC[C@H](C(=O)O)C1 SPC-k848 [0,0,0,1,0,1|1,0,0]=3 186 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 SPC-s049 [0,0,0,1,0,1|0,0,0]=2 187 B9R1.35 C[C@H]1CC[C@H](C(=O)O)N1 SPC-s038 [0,0,0,1,0,1|0,0,0]=2 188 B9R1.35 NC1CCC(C(=O)O)C1 SPC-h180 [0,0,0,1,0,1|1,0,0]=3 189 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 SPC-q476 [0,0,0,1,0,1|1,0,0]=3 190 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 SPC-t661 [0,0,0,1,0,1|1,0,0]=3 191 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 SPC-j914 [0,0,0,1,0,1|2,0,0]=4 192 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 SPC-j915 [0,0,0,1,0,1|2,0,0]=4 193 B9R1.35 O=C(O)[C@@H]1C[C@@H](S)CN1 SPC-s047 [0,0,0,1,0,1|2,0,0]=4 194 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 SPC-k019 [0,0,0,1,0,1|2,0,0]=4 195 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 SPC-s048 [0,0,0,1,0,1|2,0,0]=4 196 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 SPC-n707 [0,0,0,1,0,1|2,0,0]=4 197 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 SPC-g127 [0,0,0,1,0,1|2,0,0]=4 198 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 SPC-k011 [0,0,0,1,0,1|2,0,0]=4 199 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 SPC-m778 [0,0,0,1,0,1|2,0,0]=4 200 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 SPC-t597 [0,0,0,1,0,1|2,0,0]=4 201 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 SPC-h594 [0,0,0,1,0,1|1,0,1]=4 202 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 SPC-g806 [0,0,0,1,0,1|1,0,1]=4 203 B9R1.35 O=C1CC[C@@H](C(=O)O)S1 SPC-p725 [0,0,0,1,0,1|1,0,1]=4 204 B9R1.35 O=C1CC[C@H](C(=O)O)C1 SPC-h678 [0,0,0,1,0,1|1,0,1]=4 205 B9R1.35 O=C1CC[C@H](C(=O)O)C1 SPC-k770 [0,0,0,1,0,1|1,0,1]=4 206 B9R1.84 O=C(O)CNC1COC1 SPC-a298 [0,0,0,1,0,1|1,0,0]=3 207 B9R1.84 O=C(O)\C=C\C1CCC1 SPC-u812 [0,0,0,1,0,1|0,0,1]=3 208 B9R1.95 COC1CC(C(=O)O)C1 SPC-i683 [0,0,0,1,0,1|1,0,0]=3 209 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 SPC-i655 [0,0,0,1,0,1|1,0,0]=3 210 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 SPC-i033 [0,0,0,1,0,1|1,0,0]=3 211 B9R1.95 NCC1CC(C(=O)O)C1 SPC-m330 [0,0,0,1,0,1|1,0,0]=3 212 B9R1.41 CN1CCC[C@@H]1C(=O)O SPC-m779 [0,1,0,1,0,0|1,0,0]=3 213 B9R1.41 CN1CCC[C@H]1C(=O)O SPC-h222 [0,1,0,1,0,0|1,0,0]=3 214 B9R1.41 O=C(O)[C@@H]1CCNC1=O SPC-n002 [0,1,0,1,0,0|1,0,1]=4 215 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O SPC-h688 [0,1,0,1,0,0|1,0,0]=3 216 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O SPC-j849 [0,1,0,1,0,0|1,0,0]=3 217 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O SPC-k415 [0,1,0,1,0,0|1,0,0]=3 218 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O SPC-u455 [0,1,0,1,0,0|1,0,0]=3 219 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O SPC-k017 [0,1,0,1,0,0|1,0,0]=3 220 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O SPC-k959 [0,1,0,1,0,0|1,0,0]=3 221 B9R1.81 COC(=O)C1CNC1C SPC-q103 [0,1,0,1,0,0|1,0,0]=3 222 B9R1.81 COC(=O)C1CNC1C SPC-q103 [0,1,0,1,0,0|1,0,0]=3 223 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N SPC-q173 [0,1,0,1,0,0|1,0,0]=3 224 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N SPC-u663 [0,1,0,1,0,0|1,0,0]=3 225 B9R1.96 CCC1CN[C@@H]1C(=O)O SPC-p137 [0,1,0,1,0,0|0,0,0]=2 226 B9R1.96 CCN1CC[C@H]1C(=O)O SPC-p134 [0,1,0,1,0,0|1,0,0]=3 227 B9R1.96 N#CC1CCC1C(=O)O SPC-p215 [0,1,0,1,0,0|0,0,1]=3 228 B9R1.110 N[C@@H](C(=O)O)C1CCC1 SPC-j771 [0,1,0,1,0,0|0,0,0]=2 229 B9R1.110 N[C@@H](C(=O)O)C1COC1 SPC-i747 [0,1,0,1,0,0|1,0,0]=3 230 B9R1.110 N[C@H](C(=O)O)C1CCC1 SPC-h873 [0,1,0,1,0,0|0,0,0]=2 231 B9R1.110 N[C@H](C(=O)O)C1CCC1 SPC-h964 [0,1,0,1,0,0|0,0,0]=2 232 B9R1.110 N[C@H](C(=O)O)C1COC1 SPC-i177 [0,1,0,1,0,0|1,0,0]=3 233 B9R1.110 N[C@H](C(=O)O)C1COC1 SPC-i947 [0,1,0,1,0,0|1,0,0]=3 234 B9R1.111 CC1([C@H](N)C(=O)O)CC1 SPC-p158 [0,1,0,1,0,0|0,0,0]=2 235 B9R1.13 CC(=O)N[C@@H]1CCNC1 SPC-q203 [0,1,0,1,0,0|2,0,0]=4 236 B9R1.13 CC(=O)N[C@H]1CCNC1 SPC-k929 [0,1,0,1,0,0|2,0,0]=4 237 B9R1.13 O=C(O)CC1CCCC1 SPC-k446 [0,1,0,1,0,0|0,0,0]=2 238 B9R1.13 O=C(O)C[C@@H]1CCNC1 SPC-s817 [0,1,0,1,0,0|0,0,0]=2 239 B9R1.13 O=C(O)C[C@H]1CCNC1 SPC-j407 [0,1,0,1,0,0|0,0,0]=2 240 B9R1.13 O=C(O)C[C@H]1CCOC1 SPC-v310 [0,1,0,1,0,0|0,0,0]=2 241 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 SPC-m818 [0,1,0,1,0,0|1,0,0]=3 242 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 SPC-r047 [0,1,0,1,0,0|1,0,0]=3 243 B9R1.48 C[C@H]1CC(=O)NCCN1 SPC-p861 [0,1,0,1,0,0|1,0,0]=3 244 B9R1.53 CC(=O)NC1CC(N)C1 SPC-k956 [0,1,0,1,0,0|2,0,0]=4 245 B9R1.53 NC1CC(CC(=O)O)C1 SPC-i741 [0,1,0,1,0,0|0,0,0]=2 246 B9R1.53 O=C(O)CC1CC(=O)C1 SPC-p081 [0,1,0,1,0,0|0,0,1]=3 247 B9R1.66 CC1(C)CC(=O)CCO1 SPC-s192 [0,1,0,1,0,0|2,0,0]=4 248 B9R1.66 CC1(C)CCCC(=O)C1 SPC-p301 [0,1,0,1,0,0|1,0,0]=3 249 B9R1.171 CC1(CC(=O)O)COC1 SPC-a023 [0,1,0,1,0,0|0,0,0]=2 250 B9R1.171 NC1(CC(=O)O)CCC1 SPC-a183 [0,1,0,1,0,0|0,0,0]=2 251 B9R1.171 NC1(CC(=O)O)COC1 SPC-a042 [0,1,0,1,0,0|1,0,0]=3 252 B9R1.171 O=C(O)CC1(O)CNC1 SPC-o009 [0,1,0,1,0,0|1,0,0]=3 253 B9R1.2 CCN1CCNC(=O)C1 SPC-t007 [0,1,0,1,0,0|2,0,0]=4 254 B9R1.2 COC1CCCC(O)C1 SPC-q771 [0,1,0,1,0,0|1,0,1]=4 255 B9R1.2 CO[C@@H]1CCC[C@H](O)C1 SPC-v039 [0,1,0,1,0,0|1,0,1]=4 256 B9R1.2 NC[C@H]1CCNC(=O)C1 SPC-j120 [0,1,0,1,0,0|1,0,0]=3 257 B9R1.2 O=C1C[C@@H](CO)CCN1 SPC-j635 [0,1,0,1,0,0|1,0,0]=3 258 B9R1.23 CN1C[C@@H](CN)CC1=O SPC-n100 [0,1,0,1,0,0|2,0,0]=4 259 B9R1.23 CN1C[C@@H](CO)CC1=O SPC-s965 [0,1,0,1,0,0|2,0,0]=4 260 B9R1.79 COC(=O)CC1CNC1 SPC-g986 [0,1,0,1,0,0|1,0,0]=3 261 B9R1.79 COC(=O)CC1COC1 SPC-i599 [0,1,0,1,0,0|1,0,0]=3 262 B9R1.161 NC(=O)C1CC1C(=O)O SPC-k404 [0,1,0,1,0,0|1,0,1]=4 263 B9R1.170 O=C(O)C[C@H]1CC1(F)F SPC-p131 [0,1,0,1,0,0|1,0,0]=3 264 B9R1.166 CC1(C)CN[C@@H]1C(=O)O SPC-p136 [0,1,0,1,0,0|1,0,0]=3 265 B9R2.139 O=C1CC2(CC2)CN1 SPC-b633 [0,0,0,2,0,0|1,0,0]=3 266 B9R2.139 O=C1CC2(CC2)CO1 SPC-t063 [0,0,0,2,0,0|0,0,0]=2 267 B9R2.25 O=C1OC(=O)C2CC12 SPC-g395 [0,0,0,2,0,0|1,0,1]=4 268 B9R2.109 O=C1CCCC2CC12 SPC-p917 [0,0,0,2,0,0|1,0,0]=3 269 B9R2.138 O=C1CC2(CCC2)C1 SPC-h662 [0,0,0,2,0,0|1,0,0]=3 270 B9R2.138 O=C1CC2(CCC2)N1 SPC-b643 [0,0,0,2,0,0|1,0,0]=3 271 B9R2.138 O=C1CC2(CNC2)C1 SPC-i912 [0,0,0,2,0,0|2,0,0]=4 272 B9R2.138 O=C1CC2(COC2)C1 SPC-b096 [0,0,0,2,0,0|2,0,0]=4 273 B9R2.138 O=C1CC2(COC2)N1 SPC-b644 [0,0,0,2,0,0|2,0,0]=4 274 B9R2.138 O=C1CC2(CSC2)C1 SPC-i754 [0,0,0,2,0,0|2,0,0]=4 275 B9R2.138 OC1CC2(CCC2)C1 SPC-n511 [0,0,0,2,0,0|1,0,1]=4 276 B9R2.148 O=C(O)C1C2CCC21 SPC-w002 [0,0,0,2,0,0|0,0,0]=2 277 B9R2.143 O=C(O)[C@H]1CC12CC2 SPC-i461 [0,0,0,2,0,0|0,0,0]=2