0 B6R1.2 Br[C@H]1CCOC1 SPC-h137 [0,0,0,0,0,0|1,1,1]=3 1 B6R1.2 CC1=CSC=N1 SPC-g112 [0,0,0,0,0,0|2,0,2]=4 2 B6R1.2 C[C@@H]1CCCN1 SPC-n701 [0,0,0,0,0,0|3,0,1]=4 3 B6R1.2 C[C@H]1CCCN1 SPC-r295 [0,0,0,0,0,0|3,0,1]=4 4 B6R1.2 ClC1=CSC=C1 SPC-t726 [0,0,0,0,0,0|1,0,3]=4 5 B6R1.2 ClC1=CSC=N1 SPC-n125 [0,0,0,0,0,0|2,0,2]=4 6 B6R1.2 F[C@@H]1CCNC1 SPC-g912 [0,0,0,0,0,0|2,0,1]=3 7 B6R1.2 F[C@@H]1CCNC1 SPC-s680 [0,0,0,0,0,0|2,0,1]=3 8 B6R1.2 F[C@H]1CCNC1 SPC-h119 [0,0,0,0,0,0|2,0,1]=3 9 B6R1.2 F[C@H]1CCNC1 SPC-j083 [0,0,0,0,0,0|2,0,1]=3 10 B6R1.2 IC1=COCC1 SPC-t718 [0,0,0,0,0,0|1,1,1]=3 11 B6R1.2 IC1CCCC1 SPC-n407 [0,0,0,0,0,0|2,0,1]=3 12 B6R1.2 I[C@H]1CCOC1 SPC-h290 [0,0,0,0,0,0|1,1,1]=3 13 B6R1.2 I[C@H]1CCOC1 SPC-j336 [0,0,0,0,0,0|1,1,1]=3 14 B6R1.2 NC1=CSN=C1 SPC-r370 [0,0,0,0,0,0|2,0,2]=4 15 B6R1.2 N[C@@H]1CCOC1 SPC-g913 [0,0,0,0,0,0|1,1,1]=3 16 B6R1.2 N[C@H]1CCOC1 SPC-g942 [0,0,0,0,0,0|1,1,1]=3 17 B6R1.2 N[C@H]1CCOC1 SPC-g966 [0,0,0,0,0,0|1,1,1]=3 18 B6R1.2 O=C1C=CCC1 SPC-g207 [0,0,0,0,0,0|1,0,1]=2 19 B6R1.2 O=C1C=CCO1 SPC-t619 [0,0,0,0,0,0|2,0,1]=3 20 B6R1.2 O=C1C=CNN1 SPC-p382 [0,0,0,0,0,0|2,0,2]=4 21 B6R1.2 O=C1CCNC1 SPC-g182 [0,0,0,0,0,0|1,0,0]=1 22 B6R1.2 O=C1CCOC1 SPC-g234 [0,0,0,0,0,0|0,1,0]=1 23 B6R1.2 OC1CC=CC1 SPC-n355 [0,0,0,0,0,0|1,0,3]=4 24 B6R1.2 O[C@@H]1CCNC1 SPC-g149 [0,0,0,0,0,0|1,0,2]=3 25 B6R1.2 O[C@@H]1CCOC1 SPC-g564 [0,0,0,0,0,0|0,1,2]=3 26 B6R1.2 O[C@H]1CCNC1 SPC-g033 [0,0,0,0,0,0|1,0,2]=3 27 B6R1.2 O[C@H]1CCNC1 SPC-g282 [0,0,0,0,0,0|1,0,2]=3 28 B6R1.2 O[C@H]1CCNC1 SPC-g363 [0,0,0,0,0,0|1,0,2]=3 29 B6R1.2 O[C@H]1CCOC1 SPC-g096 [0,0,0,0,0,0|0,1,2]=3 30 B6R1.2 O[C@H]1CCOC1 SPC-g256 [0,0,0,0,0,0|0,1,2]=3 31 B7R1.1 BrCC1=CCCC1 SPC-n905 [0,1,0,0,0,0|2,0,1]=4 32 B7R1.1 BrCC1CCCC1 SPC-s715 [0,1,0,0,0,0|2,0,1]=4 33 B7R1.1 BrC[C@H]1CCOC1 SPC-h480 [0,1,0,0,0,0|1,1,1]=4 34 B7R1.1 CC[C@@H]1CCNC1 SPC-m807 [0,1,0,0,0,0|2,0,1]=4 35 B7R1.1 CC[C@H]1CCNC1 SPC-m813 [0,1,0,0,0,0|2,0,1]=4 36 B7R1.1 CN[C@@H]1CCOC1 SPC-u441 [0,1,0,0,0,0|1,1,1]=4 37 B7R1.1 CN[C@H]1CCOC1 SPC-j154 [0,1,0,0,0,0|1,1,1]=4 38 B7R1.1 CN[C@H]1CCOC1 SPC-t742 [0,1,0,0,0,0|1,1,1]=4 39 B7R1.1 CO[C@@H]1CCNC1 SPC-h272 [0,1,0,0,0,0|1,0,2]=4 40 B7R1.1 CO[C@H]1CCNC1 SPC-h271 [0,1,0,0,0,0|1,0,2]=4 41 B7R1.1 CO[C@H]1CCNC1 SPC-h273 [0,1,0,0,0,0|1,0,2]=4 42 B7R1.1 FC[C@@H]1CCNC1 SPC-v090 [0,1,0,0,0,0|2,0,1]=4 43 B7R1.1 IC[C@H]1CCOC1 SPC-j340 [0,1,0,0,0,0|1,1,1]=4 44 B7R1.1 N#C[C@@H]1CCNC1 SPC-m809 [0,1,0,0,0,0|2,0,1]=4 45 B7R1.1 N#C[C@@H]1CCOC1 SPC-i063 [0,1,0,0,0,0|1,1,1]=4 46 B7R1.1 N#C[C@H]1CCNC1 SPC-m594 [0,1,0,0,0,0|2,0,1]=4 47 B7R1.1 N#C[C@H]1CCNC1 SPC-n498 [0,1,0,0,0,0|2,0,1]=4 48 B7R1.1 N#C[C@H]1CCOC1 SPC-g788 [0,1,0,0,0,0|1,1,1]=4 49 B7R1.1 NCC1CCCC1 SPC-k191 [0,1,0,0,0,0|2,0,1]=4 50 B7R1.1 NCC1CCCC1 SPC-t893 [0,1,0,0,0,0|2,0,1]=4 51 B7R1.1 NC[C@@H]1CCOC1 SPC-j343 [0,1,0,0,0,0|1,1,1]=4 52 B7R1.1 NC[C@@H]1CCOC1 SPC-j344 [0,1,0,0,0,0|1,1,1]=4 53 B7R1.1 NC[C@H]1CCOC1 SPC-g368 [0,1,0,0,0,0|1,1,1]=4 54 B7R1.1 NC[C@H]1CCOC1 SPC-g369 [0,1,0,0,0,0|1,1,1]=4 55 B7R1.1 NC[C@H]1CCOC1 SPC-j341 [0,1,0,0,0,0|1,1,1]=4 56 B7R1.1 O=CC1=CSC=C1 SPC-g519 [0,1,0,0,0,0|0,0,3]=4 57 B7R1.1 OC[C@@H]1CCNC1 SPC-k806 [0,1,0,0,0,0|1,0,2]=4 58 B7R1.1 OC[C@@H]1CCNC1 SPC-n751 [0,1,0,0,0,0|1,0,2]=4 59 B7R1.1 OC[C@@H]1CCOC1 SPC-h734 [0,1,0,0,0,0|0,1,2]=4 60 B7R1.1 OC[C@H]1CCNC1 SPC-k804 [0,1,0,0,0,0|1,0,2]=4 61 B7R1.1 OC[C@H]1CCNC1 SPC-k805 [0,1,0,0,0,0|1,0,2]=4 62 B7R1.1 OC[C@H]1CCNC1 SPC-n768 [0,1,0,0,0,0|1,0,2]=4 63 B7R1.1 OC[C@H]1CCOC1 SPC-j339 [0,1,0,0,0,0|0,1,2]=4 64 B7R1.1 OC[C@H]1CCOC1 SPC-n475 [0,1,0,0,0,0|0,1,2]=4 65 B7R1.2 CN1CC[C@@H](N)C1 SPC-j082 [0,1,0,0,0,0|2,0,1]=4 66 B7R1.2 CN1CC[C@@H](O)C1 SPC-j193 [0,1,0,0,0,0|1,0,2]=4 67 B7R1.2 CN1CC[C@H](N)C1 SPC-j081 [0,1,0,0,0,0|2,0,1]=4 68 B7R1.2 CN1CC[C@H](N)C1 SPC-m812 [0,1,0,0,0,0|2,0,1]=4 69 B7R1.2 CN1CC[C@H](O)C1 SPC-j192 [0,1,0,0,0,0|1,0,2]=4 70 B7R1.2 C[C@@H]1CNC(=O)C1 SPC-r288 [0,1,0,0,0,0|2,0,0]=3 71 B7R1.2 C[C@@H]1C[C@H](O)CN1 SPC-q565 [0,1,0,0,0,0|1,0,2]=4 72 B7R1.2 C[C@H]1CNC(=O)C1 SPC-n787 [0,1,0,0,0,0|2,0,0]=3 73 B7R1.2 C[C@H]1C[C@@H](O)CN1 SPC-r278 [0,1,0,0,0,0|1,0,2]=4 74 B7R1.2 C[C@H]1C[C@H](O)CN1 SPC-n775 [0,1,0,0,0,0|1,0,2]=4 75 B7R1.2 NC1CCC(O)C1 SPC-k139 [0,1,0,0,0,0|1,0,2]=4 76 B7R1.2 N[C@@H]1CC[C@@H](O)C1 SPC-m760 [0,1,0,0,0,0|1,0,2]=4 77 B7R1.2 N[C@@H]1CC[C@H](O)C1 SPC-m283 [0,1,0,0,0,0|1,0,2]=4 78 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-m128 [0,1,0,0,0,0|2,0,0]=3 79 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-m129 [0,1,0,0,0,0|2,0,0]=3 80 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-m820 [0,1,0,0,0,0|2,0,0]=3 81 B7R1.2 N[C@@H]1CNC(=O)C1 SPC-t534 [0,1,0,0,0,0|2,0,0]=3 82 B7R1.2 N[C@H]1CC[C@@H](F)C1 SPC-s017 [0,1,0,0,0,0|2,0,1]=4 83 B7R1.2 N[C@H]1CC[C@@H](O)C1 SPC-m402 [0,1,0,0,0,0|1,0,2]=4 84 B7R1.2 N[C@H]1CC[C@H](O)C1 SPC-m401 [0,1,0,0,0,0|1,0,2]=4 85 B7R1.2 O=C1CCC(=O)C1 SPC-h715 [0,1,0,0,0,0|1,0,0]=2 86 B7R1.2 O=C1CC[C@H](O)C1 SPC-q537 [0,1,0,0,0,0|1,0,0]=2 87 B7R1.2 O=C1CNC(=O)C1 SPC-n497 [0,1,0,0,0,0|1,0,1]=3 88 B7R1.2 O=C1C[C@@H](O)CN1 SPC-s696 [0,1,0,0,0,0|2,0,0]=3 89 B7R1.2 O=C1C[C@@H](S)CN1 SPC-u488 [0,1,0,0,0,0|2,0,0]=3 90 B7R1.2 OC1CCC(O)C1 SPC-n357 [0,1,0,0,0,0|1,0,2]=4 91 B7R1.2 O[C@@H]1CC[C@@H](O)C1 SPC-s639 [0,1,0,0,0,0|1,0,2]=4 92 B7R1.2 O[C@H]1CC[C@@H](O)C1 SPC-q785 [0,1,0,0,0,0|1,0,2]=4 93 B7R1.4 CC1CNCC1C SPC-t668 [0,1,0,0,0,0|2,0,1]=4 94 B7R1.4 C[C@@H]1CNC[C@@H]1O SPC-r275 [0,1,0,0,0,0|1,0,2]=4 95 B7R1.4 C[C@@H]1CNC[C@H]1O SPC-r274 [0,1,0,0,0,0|1,0,2]=4 96 B7R1.4 C[C@@H]1COC[C@H]1N SPC-q478 [0,1,0,0,0,0|1,1,1]=4 97 B7R1.4 F[C@H]1CNC[C@@H]1F SPC-q471 [0,1,0,0,0,0|2,0,1]=4 98 B7R1.4 F[C@H]1CNC[C@H]1F SPC-m145 [0,1,0,0,0,0|2,0,1]=4 99 B7R1.4 N[C@@H]1CCC[C@@H]1O SPC-q799 [0,1,0,0,0,0|1,0,2]=4 100 B7R1.4 N[C@@H]1CCC[C@@H]1O SPC-v328 [0,1,0,0,0,0|1,0,2]=4 101 B7R1.4 N[C@@H]1CCC[C@H]1F SPC-t364 [0,1,0,0,0,0|2,0,1]=4 102 B7R1.4 N[C@@H]1CCC[C@H]1N SPC-q798 [0,1,0,0,0,0|2,0,1]=4 103 B7R1.4 N[C@@H]1CCC[C@H]1O SPC-k050 [0,1,0,0,0,0|1,0,2]=4 104 B7R1.4 N[C@@H]1COC[C@@H]1N SPC-j842 [0,1,0,0,0,0|1,1,1]=4 105 B7R1.4 N[C@@H]1COC[C@@H]1N SPC-p941 [0,1,0,0,0,0|1,1,1]=4 106 B7R1.4 N[C@@H]1COC[C@H]1N SPC-r344 [0,1,0,0,0,0|1,1,1]=4 107 B7R1.4 N[C@@H]1COC[C@H]1O SPC-s070 [0,1,0,0,0,0|0,1,2]=4 108 B7R1.4 N[C@H]1CCC[C@@H]1O SPC-k049 [0,1,0,0,0,0|1,0,2]=4 109 B7R1.4 N[C@H]1CCC[C@H]1N SPC-s473 [0,1,0,0,0,0|2,0,1]=4 110 B7R1.4 N[C@H]1CCC[C@H]1O SPC-s007 [0,1,0,0,0,0|1,0,2]=4 111 B7R1.4 N[C@H]1CCNC1=O SPC-u507 [0,1,0,0,0,0|2,0,0]=3 112 B7R1.4 N[C@H]1CCOC1=O SPC-s908 [0,1,0,0,0,0|2,0,0]=3 113 B7R1.4 N[C@H]1COC[C@@H]1O SPC-m803 [0,1,0,0,0,0|0,1,2]=4 114 B7R1.4 N[C@H]1COC[C@H]1O SPC-r345 [0,1,0,0,0,0|0,1,2]=4 115 B7R1.4 N[C@H]1COC[C@H]1O SPC-u832 [0,1,0,0,0,0|0,1,2]=4 116 B7R1.4 O[C@@H]1CNC[C@@H]1F SPC-v112 [0,1,0,0,0,0|1,0,2]=4 117 B7R1.4 O[C@@H]1CNC[C@H]1F SPC-r283 [0,1,0,0,0,0|1,0,2]=4 118 B7R1.4 O[C@@H]1CNC[C@H]1O SPC-m311 [0,1,0,0,0,0|1,0,2]=4 119 B7R1.4 O[C@H]1CNC[C@@H]1F SPC-n773 [0,1,0,0,0,0|1,0,2]=4 120 B7R1.4 O[C@H]1CNC[C@@H]1O SPC-m146 [0,1,0,0,0,0|1,0,2]=4 121 B7R1.4 O[C@H]1CNC[C@@H]1O SPC-s074 [0,1,0,0,0,0|1,0,2]=4 122 B7R1.4 O[C@H]1CNC[C@H]1F SPC-p954 [0,1,0,0,0,0|1,0,2]=4 123 B7R1.4 O[C@H]1CNC[C@H]1O SPC-i555 [0,1,0,0,0,0|1,0,2]=4 124 B7R1.4 O[C@H]1COC[C@H]1O SPC-h743 [0,1,0,0,0,0|0,1,2]=4 125 B7R1.14 CC1(C)CCNC1 SPC-m061 [0,1,0,0,0,0|2,0,1]=4 126 B7R1.14 C[C@@]1(O)CCNC1 SPC-n747 [0,1,0,0,0,0|1,0,2]=4 127 B7R1.14 C[C@]1(F)CCNC1 SPC-n059 [0,1,0,0,0,0|2,0,1]=4 128 B7R1.14 C[C@]1(N)CCOC1 SPC-m234 [0,1,0,0,0,0|1,1,1]=4 129 B7R1.14 C[C@]1(O)CCNC1 SPC-g916 [0,1,0,0,0,0|1,0,2]=4 130 B7R1.14 C[C@]1(O)CCNC1 SPC-j188 [0,1,0,0,0,0|1,0,2]=4 131 B7R1.14 C[C@]1(O)CCNC1 SPC-n763 [0,1,0,0,0,0|1,0,2]=4 132 B7R1.14 C[C@]1(O)CCNC1 SPC-s688 [0,1,0,0,0,0|1,0,2]=4 133 B7R1.14 FC1(F)CCNC1 SPC-g879 [0,1,0,0,0,0|2,0,1]=4 134 B7R1.14 N=S1(=O)CCCC1 SPC-w059 [0,1,0,0,0,0|2,0,0]=3 135 B5R0.1 CCC[C@H](C)N SPC-k309 [0,0,1,0,0,0|2,0,1]=4 136 B5R0.1 C[C@@H](N)CCO SPC-g658 [0,0,1,0,0,0|1,1,1]=4 137 B5R0.1 C[C@H](N)CCO SPC-n760 [0,0,1,0,0,0|1,1,1]=4 138 B5R0.3 C=C(CCl)CCl SPC-g310 [0,0,1,0,0,0|3,0,0]=4 139 B5R0.3 C=C(CO)CO SPC-g493 [0,0,1,0,0,0|2,1,0]=4 140 B7R2.11 C1NC2CC1C2 SPC-i373 [0,0,0,1,0,0|2,0,1]=4 141 B7R2.13 C1CC2CC2N1 SPC-p171 [0,0,0,1,0,0|2,0,1]=4 142 B7R2.13 C1NCC2CC12 SPC-a322 [0,0,0,1,0,0|2,0,1]=4 143 B5R1.2 BrC1CCC1 SPC-p925 [0,0,0,0,1,0|1,0,1]=3 144 B5R1.2 BrC1CNC1 SPC-h907 [0,0,0,0,1,0|2,0,1]=4 145 B5R1.2 BrC1CNC1 SPC-h907 [0,0,0,0,1,0|2,0,1]=4 146 B5R1.2 BrC1COC1 SPC-g331 [0,0,0,0,1,0|1,1,1]=4 147 B5R1.2 CC1CNC1 SPC-h149 [0,0,0,0,1,0|2,0,1]=4 148 B5R1.2 C[C@H]1CCN1 SPC-i601 [0,0,0,0,1,0|2,0,1]=4 149 B5R1.2 ClC1CNC1 SPC-h126 [0,0,0,0,1,0|2,0,1]=4 150 B5R1.2 ClC1COC1 SPC-s928 [0,0,0,0,1,0|1,1,1]=4 151 B5R1.2 FC1CNC1 SPC-g878 [0,0,0,0,1,0|2,0,1]=4 152 B5R1.2 IC1CCC1 SPC-t191 [0,0,0,0,1,0|1,0,1]=3 153 B5R1.2 IC1COC1 SPC-a300 [0,0,0,0,1,0|1,1,1]=4 154 B5R1.2 NC1CCC1 SPC-a094 [0,0,0,0,1,0|1,0,1]=3 155 B5R1.2 NC1CNC1 SPC-h131 [0,0,0,0,1,0|2,0,1]=4 156 B5R1.2 NC1COC1 SPC-a019 [0,0,0,0,1,0|1,1,1]=4 157 B5R1.2 NC1CSC1 SPC-i072 [0,0,0,0,1,0|1,0,1]=3 158 B5R1.2 O=C1CCN1 SPC-t120 [0,0,0,0,1,0|1,0,0]=2 159 B5R1.2 O=C1CNC1 SPC-h722 [0,0,0,0,1,0|1,0,0]=2 160 B5R1.2 O=C1CSC1 SPC-a100 [0,0,0,0,1,0|0,0,0]=1 161 B5R1.2 OC1CNC1 SPC-a234 [0,0,0,0,1,0|1,0,2]=4 162 B5R1.2 OC1COC1 SPC-a002 [0,0,0,0,1,0|0,1,2]=4 163 B5R1.2 OC1CSC1 SPC-t361 [0,0,0,0,1,0|0,0,2]=3 164 B5R1.2 SC1CNC1 SPC-i180 [0,0,0,0,1,0|1,1,1]=4 165 B5R1.2 SC1COC1 SPC-h701 [0,0,0,0,1,0|0,2,1]=4 166 B7R1.3 BrC1CCOCC1 SPC-g434 [0,0,0,0,0,1|1,1,1]=4 167 B7R1.3 C=C1CCOCC1 SPC-m646 [0,0,0,0,0,1|1,1,0]=3 168 B7R1.3 CC1=CCCNC1 SPC-m637 [0,0,0,0,0,1|2,0,0]=3 169 B7R1.3 CC1=CCNCC1 SPC-h455 [0,0,0,0,0,1|2,0,0]=3 170 B7R1.3 C[C@@H]1CNCCN1 SPC-g041 [0,0,0,0,0,1|2,0,1]=4 171 B7R1.3 C[C@@H]1CNCCO1 SPC-n699 [0,0,0,0,0,1|2,0,1]=4 172 B7R1.3 C[C@@H]1COCCN1 SPC-g660 [0,0,0,0,0,1|1,1,1]=4 173 B7R1.3 C[C@H]1CNCCO1 SPC-m798 [0,0,0,0,0,1|2,0,1]=4 174 B7R1.3 C[C@H]1COCCN1 SPC-m696 [0,0,0,0,0,1|1,1,1]=4 175 B7R1.3 FC1CCNCC1 SPC-g555 [0,0,0,0,0,1|2,0,1]=4 176 B7R1.3 F[C@@H]1CCCNC1 SPC-i353 [0,0,0,0,0,1|2,0,1]=4 177 B7R1.3 F[C@H]1CCCNC1 SPC-i164 [0,0,0,0,0,1|2,0,1]=4 178 B7R1.3 F[C@H]1CCCNC1 SPC-j119 [0,0,0,0,0,1|2,0,1]=4 179 B7R1.3 IC1CCOCC1 SPC-g782 [0,0,0,0,0,1|1,1,1]=4 180 B7R1.3 NC1CCOCC1 SPC-g166 [0,0,0,0,0,1|1,1,1]=4 181 B7R1.3 NC1CCSCC1 SPC-a111 [0,0,0,0,0,1|1,0,1]=3 182 B7R1.3 N[C@@H]1CCCOC1 SPC-s681 [0,0,0,0,0,1|1,1,1]=4 183 B7R1.3 N[C@H]1CCCOC1 SPC-n767 [0,0,0,0,0,1|1,1,1]=4 184 B7R1.3 O=C1C=CCOC1 SPC-s270 [0,0,0,0,0,1|0,1,1]=3 185 B7R1.3 O=C1CCCNC1 SPC-q237 [0,0,0,0,0,1|1,0,0]=2 186 B7R1.3 O=C1CCCOC1 SPC-g865 [0,0,0,0,0,1|0,1,0]=2 187 B7R1.3 O=C1CCCSC1 SPC-k221 [0,0,0,0,0,1|0,0,0]=1 188 B7R1.3 O=C1CCOCC1 SPC-g072 [0,0,0,0,0,1|0,1,0]=2 189 B7R1.3 O=C1CCSCC1 SPC-g130 [0,0,0,0,0,1|0,0,0]=1 190 B7R1.3 O=C1CNCCN1 SPC-g151 [0,0,0,0,0,1|1,0,0]=2 191 B7R1.3 O=C1COCCN1 SPC-g147 [0,0,0,0,0,1|0,1,0]=2 192 B7R1.3 OC1CCOCC1 SPC-g695 [0,0,0,0,0,1|0,1,2]=4 193 B7R1.3 O[C@@H]1CCCNC1 SPC-j185 [0,0,0,0,0,1|1,0,2]=4 194 B7R1.3 O[C@@H]1CCCOC1 SPC-u362 [0,0,0,0,0,1|0,1,2]=4 195 B7R1.3 O[C@H]1CCCNC1 SPC-g006 [0,0,0,0,0,1|1,0,2]=4 196 B7R1.3 O[C@H]1CCCNC1 SPC-g045 [0,0,0,0,0,1|1,0,2]=4 197 B7R1.3 O[C@H]1CCCNC1 SPC-h058 [0,0,0,0,0,1|1,0,2]=4 198 B7R1.3 O[C@H]1CCCOC1 SPC-h213 [0,0,0,0,0,1|0,1,2]=4 199 B7R1.3 O[C@H]1CCCOC1 SPC-u595 [0,0,0,0,0,1|0,1,2]=4 200 B7R1.3 SC1CCNCC1 SPC-m332 [0,0,0,0,0,1|1,1,1]=4 201 B7R1.3 S[C@H]1CCCNC1 SPC-n485 [0,0,0,0,0,1|1,1,1]=4 202 B4R0.1 CC(=O)CN SPC-t886 [1,0,1,0,0,0|1,0,0]=3 203 B4R0.1 NC(=O)CI SPC-s873 [1,0,1,0,0,0|2,0,0]=4 204 B4R0.2 C=CCCO SPC-t137 [1,0,1,0,0,0|0,1,1]=4 205 B6R0.3 CC[C@@H](Br)C(=O)O SPC-t752 [0,1,1,0,0,0|2,0,0]=4 206 B6R0.3 CC[C@H](Br)C(=O)O SPC-t846 [0,1,1,0,0,0|2,0,0]=4 207 B6R0.3 CN[C@@H](C)C(=O)O SPC-s663 [0,1,1,0,0,0|2,0,0]=4 208 B6R0.3 CON(C)C(C)=O SPC-t100 [0,1,1,0,0,0|1,1,0]=4 209 B6R0.3 CO[C@@H](C)C(=O)O SPC-h233 [0,1,1,0,0,0|1,1,0]=4 210 B6R0.3 CO[C@@H](C)C(=O)O SPC-t778 [0,1,1,0,0,0|1,1,0]=4 211 B6R1.4 C[C@@H]1OCC1=O SPC-p252 [0,1,0,0,1,0|0,1,0]=3 212 B6R1.4 NC1CCC1O SPC-u019 [0,1,0,0,1,0|0,0,2]=4 213 B6R1.4 N[C@@H]1CC[C@@H]1O SPC-u564 [0,1,0,0,1,0|0,0,2]=4 214 B6R1.4 N[C@@H]1CC[C@H]1N SPC-a439 [0,1,0,0,1,0|1,0,1]=4 215 B6R1.4 N[C@@H]1CNC1=O SPC-u597 [0,1,0,0,1,0|1,0,0]=3 216 B6R1.4 N[C@H]1CC[C@H]1N SPC-a438 [0,1,0,0,1,0|1,0,1]=4 217 B6R1.4 N[C@H]1CNC1=O SPC-s686 [0,1,0,0,1,0|1,0,0]=3 218 B6R1.4 O=C1CC[C@@H]1Br SPC-u765 [0,1,0,0,1,0|0,0,0]=2 219 B6R1.5 CC1CC(=O)C1 SPC-n075 [0,1,0,0,1,0|0,0,0]=2 220 B6R1.5 CN1CC(=O)C1 SPC-i955 [0,1,0,0,1,0|1,0,0]=3 221 B6R1.5 CN1CC(=O)C1 SPC-p044 [0,1,0,0,1,0|1,0,0]=3 222 B6R1.5 CN1CC(Cl)C1 SPC-u755 [0,1,0,0,1,0|2,0,0]=4 223 B6R1.5 CN1CC(N)C1 SPC-a122 [0,1,0,0,1,0|2,0,0]=4 224 B6R1.5 CN1CC(N)C1 SPC-a122 [0,1,0,0,1,0|2,0,0]=4 225 B6R1.5 CN1CC(O)C1 SPC-h814 [0,1,0,0,1,0|2,0,0]=4 226 B6R1.5 C[C@H]1C[C@@H](N)C1 SPC-t414 [0,1,0,0,1,0|1,0,1]=4 227 B6R1.5 NC1CC(=O)C1 SPC-g768 [0,1,0,0,1,0|0,0,0]=2 228 B6R1.5 NC1CC(F)C1 SPC-a126 [0,1,0,0,1,0|1,0,1]=4 229 B6R1.5 NC1CC(N)C1 SPC-k955 [0,1,0,0,1,0|1,0,1]=4 230 B6R1.5 NC1CC(O)C1 SPC-h237 [0,1,0,0,1,0|0,0,2]=4 231 B6R1.5 NC1CC(O)C1 SPC-h906 [0,1,0,0,1,0|0,0,2]=4 232 B6R1.5 NN1CC(O)C1 SPC-n969 [0,1,0,0,1,0|2,0,0]=4 233 B6R1.5 N[C@H]1C[C@@H](F)C1 SPC-i447 [0,1,0,0,1,0|1,0,1]=4 234 B6R1.5 N[C@H]1C[C@@H](N)C1 SPC-i052 [0,1,0,0,1,0|1,0,1]=4 235 B6R1.5 N[C@H]1C[C@@H](O)C1 SPC-h453 [0,1,0,0,1,0|0,0,2]=4 236 B6R1.5 N[C@H]1C[C@H](F)C1 SPC-i830 [0,1,0,0,1,0|1,0,1]=4 237 B6R1.5 N[C@H]1C[C@H](N)C1 SPC-i730 [0,1,0,0,1,0|1,0,1]=4 238 B6R1.5 N[C@H]1C[C@H](N)C1 SPC-i825 [0,1,0,0,1,0|1,0,1]=4 239 B6R1.5 N[C@H]1C[C@H](O)C1 SPC-h454 [0,1,0,0,1,0|0,0,2]=4 240 B6R1.5 N[C@H]1C[C@H](O)C1 SPC-i099 [0,1,0,0,1,0|0,0,2]=4 241 B6R1.5 O=C1CC(Br)C1 SPC-i596 [0,1,0,0,1,0|0,0,0]=2 242 B6R1.5 OC1CC(F)C1 SPC-i817 [0,1,0,0,1,0|0,0,2]=4 243 B6R1.5 OC1CC(O)C1 SPC-v254 [0,1,0,0,1,0|0,0,2]=4 244 B6R1.5 O[C@H]1C[C@@H](F)C1 SPC-p948 [0,1,0,0,1,0|0,0,2]=4 245 B6R1.5 O[C@H]1C[C@H](F)C1 SPC-q477 [0,1,0,0,1,0|0,0,2]=4 246 B6R1.6 ICC1CCC1 SPC-m826 [0,1,0,0,1,0|1,0,1]=4 247 B6R1.6 NCC1CCC1 SPC-a097 [0,1,0,0,1,0|1,0,1]=4 248 B6R1.6 NCC1CCC1 SPC-g882 [0,1,0,0,1,0|1,0,1]=4 249 B6R1.6 NCC1CSC1 SPC-a104 [0,1,0,0,1,0|1,0,1]=4 250 B6R1.6 NCC1CSC1 SPC-i360 [0,1,0,0,1,0|1,0,1]=4 251 B6R1.6 O=CC1COC1 SPC-r007 [0,1,0,0,1,0|0,1,1]=4 252 B6R1.6 OCC1CSC1 SPC-i307 [0,1,0,0,1,0|0,0,2]=4 253 B6R1.10 CC1(N)CCC1 SPC-h418 [0,1,0,0,1,0|1,0,1]=4 254 B6R1.10 CC1(N)CSC1 SPC-i986 [0,1,0,0,1,0|1,0,1]=4 255 B6R1.10 CC1(O)CSC1 SPC-n024 [0,1,0,0,1,0|0,0,2]=4 256 B6R1.10 N=S1(=O)CCC1 SPC-w058 [0,1,0,0,1,0|1,0,0]=3 257 B8R1.2 BrCC1=CCCCC1 SPC-j295 [0,1,0,0,0,1|2,0,0]=4 258 B8R1.2 C#CC1CCSCC1 SPC-t009 [0,1,0,0,0,1|1,0,1]=4 259 B8R1.2 N#CC1=CCOCC1 SPC-t401 [0,1,0,0,0,1|1,1,0]=4 260 B8R1.2 N#CC1CCSCC1 SPC-n629 [0,1,0,0,0,1|1,0,1]=4 261 B8R1.2 NCC1CCSCC1 SPC-j796 [0,1,0,0,0,1|1,0,1]=4 262 B8R1.2 NCC1CCSCC1 SPC-t703 [0,1,0,0,0,1|1,0,1]=4 263 B8R1.3 C[C@@H]1C=CC(=O)CC1 SPC-s978 [0,1,0,0,0,1|1,0,1]=4 264 B8R1.3 C[C@@H]1CNC(=O)CN1 SPC-u069 [0,1,0,0,0,1|1,0,0]=3 265 B8R1.3 C[C@H]1CCC(=O)NC1 SPC-p145 [0,1,0,0,0,1|1,0,0]=3 266 B8R1.3 C[C@H]1CNC(=O)CN1 SPC-n806 [0,1,0,0,0,1|1,0,0]=3 267 B8R1.3 N[C@@H]1CCC(=O)NC1 SPC-r045 [0,1,0,0,0,1|1,0,0]=3 268 B8R1.3 N[C@H]1CCC(=O)NC1 SPC-h503 [0,1,0,0,0,1|1,0,0]=3 269 B8R1.3 N[C@H]1CCC(=O)NC1 SPC-r044 [0,1,0,0,0,1|1,0,0]=3 270 B8R1.3 O=C1CCC(F)CC1 SPC-u525 [0,1,0,0,0,1|1,0,0]=3 271 B8R1.4 C[C@@H]1CC(=O)CCN1 SPC-j888 [0,1,0,0,0,1|1,0,0]=3 272 B8R1.4 C[C@@H]1CNCC(=O)N1 SPC-n811 [0,1,0,0,0,1|1,0,0]=3 273 B8R1.4 C[C@H]1CC(=O)CCN1 SPC-j895 [0,1,0,0,0,1|1,0,0]=3 274 B8R1.4 C[C@H]1CC(=O)CCN1 SPC-m537 [0,1,0,0,0,1|1,0,0]=3 275 B8R1.4 C[C@H]1CC(=O)CCN1 SPC-n719 [0,1,0,0,0,1|1,0,0]=3 276 B8R1.4 C[C@H]1CC(=O)CCO1 SPC-k855 [0,1,0,0,0,1|0,1,0]=3 277 B8R1.4 C[C@H]1CCNC(=O)C1 SPC-p144 [0,1,0,0,0,1|1,0,0]=3 278 B8R1.4 C[C@H]1CNCC(=O)N1 SPC-n812 [0,1,0,0,0,1|1,0,0]=3 279 B8R1.4 NC1=CC(=O)COC1 SPC-t582 [0,1,0,0,0,1|0,1,1]=4 280 B8R1.4 N[C@@H]1COCC(=O)C1 SPC-u616 [0,1,0,0,0,1|0,1,0]=3 281 B8R1.4 N[C@H]1CCNC(=O)C1 SPC-j029 [0,1,0,0,0,1|1,0,0]=3 282 B8R1.4 O=C1CCC[C@H](O)C1 SPC-p385 [0,1,0,0,0,1|1,0,0]=3 283 B8R1.4 O=C1CCNC(=O)C1 SPC-g649 [0,1,0,0,0,1|1,0,0]=3 284 B8R1.4 O=C1CNCC(=O)N1 SPC-r025 [0,1,0,0,0,1|1,0,1]=4 285 B8R1.4 O=C1COCC(=O)C1 SPC-k937 [0,1,0,0,0,1|0,1,0]=3 286 B8R1.4 O=C1CSCC(=O)C1 SPC-t654 [0,1,0,0,0,1|0,0,0]=2 287 B8R1.5 CN1CCNCC1=O SPC-j564 [0,1,0,0,0,1|1,0,0]=3 288 B8R1.5 CN1CCNCC1=O SPC-r023 [0,1,0,0,0,1|1,0,0]=3 289 B8R1.5 C[C@H]1CNCCC1=O SPC-n076 [0,1,0,0,0,1|1,0,0]=3 290 B8R1.5 C[C@H]1COCCC1=O SPC-p410 [0,1,0,0,0,1|0,1,0]=3 291 B8R1.5 O=C1CCNC[C@@H]1F SPC-g858 [0,1,0,0,0,1|1,0,0]=3 292 B8R1.5 O=C1CCOC[C@@H]1Br SPC-h143 [0,1,0,0,0,1|0,1,0]=3 293 B8R1.5 O=C1CCOC[C@@H]1F SPC-p380 [0,1,0,0,0,1|0,1,0]=3 294 B8R1.72 N=S1(=O)CCCCC1 SPC-w060 [0,1,0,0,0,1|2,0,0]=4 295 B8R1.72 O=S1(=O)CCNCC1 SPC-g281 [0,1,0,0,0,1|2,0,0]=4 296 B8R1.1 NC[C@@H]1CNC(=O)C1 SPC-m273 [0,2,0,0,0,0|2,0,0]=4 297 B8R1.1 NC[C@@H]1CNC(=O)C1 SPC-m274 [0,2,0,0,0,0|2,0,0]=4 298 B8R1.1 NC[C@@H]1CNC(=O)C1 SPC-p435 [0,2,0,0,0,0|2,0,0]=4 299 B8R1.1 NC[C@H]1CNC(=O)C1 SPC-m271 [0,2,0,0,0,0|2,0,0]=4 300 B8R1.1 NC[C@H]1CNC(=O)C1 SPC-m272 [0,2,0,0,0,0|2,0,0]=4 301 B8R1.1 O=C1CC[C@@H](CO)N1 SPC-g157 [0,2,0,0,0,0|2,0,0]=4 302 B8R1.1 O=C1CC[C@H](CO)N1 SPC-n804 [0,2,0,0,0,0|2,0,0]=4 303 B8R1.7 NC(=O)[C@@H]1CCNC1 SPC-i613 [0,2,0,0,0,0|1,0,1]=4 304 B8R1.7 NC(=O)[C@H]1CCNC1 SPC-h374 [0,2,0,0,0,0|1,0,1]=4 305 B8R1.7 NC(=O)[C@H]1CCNC1 SPC-j214 [0,2,0,0,0,0|1,0,1]=4 306 B8R1.7 NC(=O)[C@H]1CCOC1 SPC-m339 [0,2,0,0,0,0|0,1,1]=4 307 B8R1.7 O=C(O)C1=COCC1 SPC-g480 [0,2,0,0,0,0|0,1,1]=4 308 B8R1.7 O=C(O)C1CCCC1 SPC-k222 [0,2,0,0,0,0|1,0,1]=4 309 B8R1.7 O=C(O)[C@@H]1CCNC1 SPC-n752 [0,2,0,0,0,0|1,0,1]=4 310 B8R1.7 O=C(O)[C@@H]1CCNC1 SPC-s684 [0,2,0,0,0,0|1,0,1]=4 311 B8R1.7 O=C(O)[C@@H]1CCOC1 SPC-h613 [0,2,0,0,0,0|0,1,1]=4 312 B8R1.7 O=C(O)[C@H]1CCNC1 SPC-g474 [0,2,0,0,0,0|1,0,1]=4 313 B8R1.7 O=C(O)[C@H]1CCNC1 SPC-j200 [0,2,0,0,0,0|1,0,1]=4 314 B8R1.7 O=C(O)[C@H]1CCNC1 SPC-t662 [0,2,0,0,0,0|1,0,1]=4 315 B8R1.7 O=C(O)[C@H]1CCOC1 SPC-g501 [0,2,0,0,0,0|0,1,1]=4 316 B8R1.7 O=C(O)[C@H]1CCOC1 SPC-j337 [0,2,0,0,0,0|0,1,1]=4 317 B8R1.11 N#C[C@H]1COCC1=O SPC-p597 [0,2,0,0,0,0|0,1,0]=3 318 B8R1.11 N#C[C@H]1CSCC1=O SPC-p598 [0,2,0,0,0,0|0,0,0]=2 319 B8R1.11 O=C1NCC[C@@H]1CO SPC-k007 [0,2,0,0,0,0|2,0,0]=4 320 B8R1.18 CN1C[C@@H](N)CC1=O SPC-p485 [0,2,0,0,0,0|2,0,0]=4 321 B8R1.50 CN1C(=O)CSC1=S SPC-m393 [0,2,0,0,0,0|1,0,1]=4 322 B8R1.50 CN1CC[C@@H](N)C1=O SPC-v521 [0,2,0,0,0,0|2,0,0]=4 323 B8R1.50 O=C1CCC(=O)N1I SPC-m873 [0,2,0,0,0,0|2,0,0]=4 324 B8R1.19 CC1(C)CCCC1=O SPC-q787 [0,2,0,0,0,0|1,0,0]=3 325 B8R1.19 CC1(C)OCCC1=O SPC-v121 [0,2,0,0,0,0|0,1,0]=3 326 B8R1.19 O=C1NCCC1(F)F SPC-p295 [0,2,0,0,0,0|2,0,0]=4 327 B6R1.11 NC(=O)C1CC1 SPC-t155 [0,0,1,1,0,0|2,0,0]=4 328 B6R1.1 C1=CCNCC1 SPC-g659 [0,0,1,1,0,0|2,0,0]=4 329 B6R1.1 C1=CCOCC1 SPC-h047 [0,0,1,1,0,0|1,1,0]=4 330 B6R1.1 C1CSCCN1 SPC-g309 [0,0,1,1,0,0|1,0,1]=4 331 B6R1.1 C1CSCSC1 SPC-s111 [0,0,1,1,0,0|0,1,1]=4 332 B4R1.1 C1CNC1 SPC-g160 [1,0,0,0,1,0|1,0,0]=3 333 B4R1.1 C1CNC1 SPC-p889 [1,0,0,0,1,0|1,0,0]=3 334 B4R1.1 C1CNC1 SPC-p889 [1,0,0,0,1,0|1,0,0]=3 335 B4R1.2 OC1CC1 SPC-h306 [0,0,0,0,2,0|0,0,2]=4 336 B8R1.22 O=C1CCNCCN1 SPC-q669 [0,0,0,0,0,2|1,0,0]=3