0 B6R0.3 CC[C@@H](Br)C(=O)O SPC-t752 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.3 CC[C@H](Br)C(=O)O SPC-t846 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.3 CN[C@@H](C)C(=O)O SPC-s663 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.3 CO[C@@H](C)C(=O)O SPC-h233 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.3 CO[C@@H](C)C(=O)O SPC-t778 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.3 NC[C@@H](F)CO SPC-s654 [1,0,0,0,0,0|2,0,1]=4 6 B5R0.3 NC[C@H](F)CO SPC-s667 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.13 CC(C)(CN)C(N)=O SPC-m731 [0,1,0,0,0,0|3,0,0]=4 8 B7R1.4 N[C@@H]1CCC[C@@H]1O SPC-q799 [0,0,0,1,0,0|2,0,1]=4 9 B7R1.4 N[C@@H]1CCC[C@@H]1O SPC-v328 [0,0,0,1,0,0|2,0,1]=4 10 B7R1.4 N[C@@H]1CCC[C@H]1O SPC-k050 [0,0,0,1,0,0|2,0,1]=4 11 B7R1.4 N[C@@H]1COC[C@H]1O SPC-s070 [0,0,0,1,0,0|1,1,1]=4 12 B7R1.4 N[C@H]1CCC[C@@H]1O SPC-k049 [0,0,0,1,0,0|2,0,1]=4 13 B7R1.4 N[C@H]1CCC[C@H]1O SPC-s007 [0,0,0,1,0,0|2,0,1]=4 14 B7R1.4 N[C@H]1CCNC1=O SPC-u507 [0,0,0,1,0,0|2,0,0]=3 15 B7R1.4 N[C@H]1CCOC1=O SPC-s908 [0,0,0,1,0,0|1,0,0]=2 16 B7R1.4 N[C@H]1COC[C@@H]1O SPC-m803 [0,0,0,1,0,0|1,1,1]=4 17 B7R1.4 N[C@H]1COC[C@H]1O SPC-r345 [0,0,0,1,0,0|1,1,1]=4 18 B7R1.4 N[C@H]1COC[C@H]1O SPC-u832 [0,0,0,1,0,0|1,1,1]=4 19 B7R1.8 O=C1CC[C@@H]1CO SPC-p096 [0,0,0,1,0,0|2,1,0]=4 20 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O SPC-v344 [0,0,0,1,0,0|2,0,0]=3 21 B7R1.12 C[C@@H]1C[C@H]1C(=O)O SPC-t366 [0,0,0,1,0,0|2,0,0]=3 22 B7R1.12 C[C@H]1C[C@H]1C(=O)O SPC-t640 [0,0,0,1,0,0|2,0,0]=3 23 B7R1.12 C[C@H]1C[C@H]1C(=O)O SPC-v485 [0,0,0,1,0,0|2,0,0]=3 24 B7R1.12 O=C(O)C1CC1F SPC-s871 [0,0,0,1,0,0|2,0,0]=3 25 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SPC-s015 [0,0,0,1,0,0|2,0,0]=3 26 B7R1.12 O=C(O)[C@@H]1C[C@H]1F SPC-s012 [0,0,0,1,0,0|2,0,0]=3 27 B7R1.12 O=C(O)[C@@H]1C[C@H]1F SPC-t365 [0,0,0,1,0,0|2,0,0]=3 28 B7R1.12 O=C(O)[C@H]1C[C@@H]1F SPC-s008 [0,0,0,1,0,0|2,0,0]=3 29 B7R1.12 O=C(O)[C@H]1C[C@H]1F SPC-s005 [0,0,0,1,0,0|2,0,0]=3 30 B7R1.12 O=C(O)[C@H]1C[C@H]1F SPC-t140 [0,0,0,1,0,0|2,0,0]=3 31 B7R1.18 CC(=O)C1CCC1 SPC-h776 [0,0,0,1,0,0|3,0,0]=4 32 B7R1.18 CC(=O)C1COC1 SPC-r005 [0,0,0,1,0,0|2,1,0]=4 33 B7R1.18 NC(=O)C1CNC1 SPC-h816 [0,0,0,1,0,0|3,0,0]=4 34 B7R1.18 O=C(O)C1CCC1 SPC-a107 [0,0,0,1,0,0|2,0,0]=3 35 B7R1.18 O=C(O)C1CNC1 SPC-g671 [0,0,0,1,0,0|2,0,0]=3 36 B7R1.18 O=C(O)C1COC1 SPC-a017 [0,0,0,1,0,0|1,1,0]=3 37 B7R1.18 O=C(O)C1CSC1 SPC-a106 [0,0,0,1,0,0|1,0,0]=2 38 B7R1.18 O=C(O)[C@@H]1CCN1 SPC-g935 [0,0,0,1,0,0|1,0,0]=2 39 B7R1.18 O=C(O)[C@@H]1CCN1 SPC-h064 [0,0,0,1,0,0|1,0,0]=2 40 B7R1.18 O=C(O)[C@@H]1CCO1 SPC-a304 [0,0,0,1,0,0|2,0,0]=3 41 B7R1.18 O=C(O)[C@@H]1CCO1 SPC-u910 [0,0,0,1,0,0|2,0,0]=3 42 B7R1.18 O=C(O)[C@H]1CCN1 SPC-h200 [0,0,0,1,0,0|1,0,0]=2 43 B7R1.18 O=C(O)[C@H]1CCO1 SPC-u911 [0,0,0,1,0,0|2,0,0]=3 44 B7R1.19 CC1(C(=O)Cl)CC1 SPC-k249 [0,0,0,1,0,0|3,0,0]=4 45 B7R1.19 CC1(C(=O)O)CC1 SPC-j883 [0,0,0,1,0,0|2,0,0]=3 46 B7R1.19 NC(=O)C1(N)CC1 SPC-v236 [0,0,0,1,0,0|2,0,0]=3 47 B7R1.19 NC1(C(=O)O)CC1 SPC-k241 [0,0,0,1,0,0|1,0,0]=2 48 B7R1.19 O=C(O)C1(F)CC1 SPC-s779 [0,0,0,1,0,0|2,0,0]=3 49 B7R1.19 O=C(O)C1(O)CC1 SPC-g803 [0,0,0,1,0,0|2,0,0]=3 50 B4R0.1 CC(=O)CN SPC-t886 [2,0,0,0,0,0|1,0,0]=3 51 B4R0.1 NC(=O)CI SPC-s873 [2,0,0,0,0,0|1,0,1]=4 52 B4R0.2 C=CCCO SPC-t137 [2,0,0,0,0,0|1,1,0]=4 53 B6R0.4 CC\C=C\C(=O)O SPC-t510 [1,1,0,0,0,0|1,0,1]=4 54 B6R0.7 CC(F)(F)C(=O)O SPC-u702 [1,1,0,0,0,0|1,0,0]=3 55 B6R0.7 O=C(O)C(F)(F)F SPC-i053 [1,1,0,0,0,0|2,0,0]=4 56 B6R0.7 O=C(O)C(F)(F)F SPC-i652 [1,1,0,0,0,0|2,0,0]=4 57 B6R0.7 O=C(O)C(F)(F)F SPC-s652 [1,1,0,0,0,0|2,0,0]=4 58 B6R0.7 O=C(O)C(F)(F)F SPC-s662 [1,1,0,0,0,0|2,0,0]=4 59 B6R0.7 O=C(O)C(F)(F)F SPC-v387 [1,1,0,0,0,0|2,0,0]=4 60 B8R0.27 N[C@H](C(=O)O)C(F)(F)F SPC-u497 [0,2,0,0,0,0|1,0,0]=3 61 B6R1.2 O=C1C=CCC1 SPC-g207 [1,0,0,1,0,0|2,0,0]=4 62 B6R1.2 O=C1CCNC1 SPC-g182 [1,0,0,1,0,0|2,0,0]=4 63 B6R1.2 O=C1CCOC1 SPC-g234 [1,0,0,1,0,0|1,1,0]=4 64 B6R1.5 CC1CC(=O)C1 SPC-n075 [1,0,0,1,0,0|2,0,0]=4 65 B6R1.5 NC1CC(=O)C1 SPC-g768 [1,0,0,1,0,0|2,0,0]=4 66 B6R1.5 O=C1CC(Br)C1 SPC-i596 [1,0,0,1,0,0|2,0,0]=4 67 B6R1.11 NC(=O)C1CC1 SPC-t155 [1,0,0,1,0,0|2,0,0]=4 68 B6R1.4 NC1CCC1O SPC-u019 [1,0,0,1,0,0|1,0,1]=4 69 B6R1.4 N[C@@H]1CC[C@@H]1O SPC-u564 [1,0,0,1,0,0|1,0,1]=4 70 B6R1.4 N[C@@H]1CNC1=O SPC-u597 [1,0,0,1,0,0|1,0,0]=3 71 B6R1.4 N[C@H]1CNC1=O SPC-s686 [1,0,0,1,0,0|1,0,0]=3 72 B6R1.4 O=C1CC[C@@H]1Br SPC-u765 [1,0,0,1,0,0|2,0,0]=4 73 B6R1.6 O=CC1COC1 SPC-r007 [1,0,0,1,0,0|1,1,0]=4 74 B6R1.6 OCC1CSC1 SPC-i307 [1,0,0,1,0,0|1,0,1]=4 75 B6R1.6 OC[C@@H]1CCN1 SPC-i144 [1,0,0,1,0,0|1,0,1]=4 76 B6R1.6 OC[C@H]1CCN1 SPC-i191 [1,0,0,1,0,0|1,0,1]=4 77 B6R1.6 OC[C@H]1CCN1 SPC-k756 [1,0,0,1,0,0|1,0,1]=4 78 B6R1.7 NC1(CO)CC1 SPC-m032 [1,0,0,1,0,0|1,0,1]=4 79 B6R1.7 NC1(CO)CC1 SPC-n639 [1,0,0,1,0,0|1,0,1]=4 80 B8R1.1 NC[C@H]1COC(=O)N1 SPC-p433 [0,0,0,1,0,1|2,0,0]=4 81 B8R1.4 N[C@@H]1COCC(=O)C1 SPC-u616 [0,0,0,1,0,1|1,1,0]=4 82 B8R1.4 N[C@H]1CCNC(=O)C1 SPC-j029 [0,0,0,1,0,1|2,0,0]=4 83 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O SPC-p138 [0,0,0,1,0,1|2,0,0]=4 84 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O SPC-i928 [0,0,0,1,0,1|1,0,0]=3 85 B8R1.31 N[C@H]1CC[C@H]1C(=O)O SPC-i929 [0,0,0,1,0,1|1,0,0]=3 86 B8R1.34 O=C(O)CC1CCC1 SPC-a096 [0,0,0,1,0,1|2,0,0]=4 87 B8R1.34 O=C(O)CC1CNC1 SPC-h769 [0,0,0,1,0,1|2,0,0]=4 88 B8R1.34 O=C(O)CC1COC1 SPC-a018 [0,0,0,1,0,1|1,1,0]=4 89 B8R1.43 NCC1CC1C(=O)O SPC-v399 [0,0,0,1,0,1|2,0,0]=4 90 B8R1.7 NC(=O)[C@@H]1CCCN1 SPC-m512 [0,1,0,1,0,0|2,0,0]=4 91 B8R1.7 NC(=O)[C@@H]1CCNC1 SPC-i613 [0,1,0,1,0,0|2,0,0]=4 92 B8R1.7 NC(=O)[C@H]1CCNC1 SPC-h374 [0,1,0,1,0,0|2,0,0]=4 93 B8R1.7 NC(=O)[C@H]1CCNC1 SPC-j214 [0,1,0,1,0,0|2,0,0]=4 94 B8R1.7 O=C(O)C1CC=CC1 SPC-g185 [0,1,0,1,0,0|2,0,0]=4 95 B8R1.7 O=C(O)C1CCCC1 SPC-k222 [0,1,0,1,0,0|2,0,0]=4 96 B8R1.7 O=C(O)[C@@H]1CCNC1 SPC-n752 [0,1,0,1,0,0|1,0,0]=3 97 B8R1.7 O=C(O)[C@@H]1CCNC1 SPC-s684 [0,1,0,1,0,0|1,0,0]=3 98 B8R1.7 O=C(O)[C@@H]1CCOC1 SPC-h613 [0,1,0,1,0,0|1,1,0]=4 99 B8R1.7 O=C(O)[C@H]1CCNC1 SPC-g474 [0,1,0,1,0,0|1,0,0]=3 100 B8R1.7 O=C(O)[C@H]1CCNC1 SPC-j200 [0,1,0,1,0,0|1,0,0]=3 101 B8R1.7 O=C(O)[C@H]1CCNC1 SPC-t662 [0,1,0,1,0,0|1,0,0]=3 102 B8R1.7 O=C(O)[C@H]1CCOC1 SPC-g501 [0,1,0,1,0,0|1,1,0]=4 103 B8R1.7 O=C(O)[C@H]1CCOC1 SPC-j337 [0,1,0,1,0,0|1,1,0]=4 104 B8R1.23 C=C1CC(C(=O)O)C1 SPC-g775 [0,1,0,1,0,0|2,0,0]=4 105 B8R1.23 CC1CC(C(=O)O)C1 SPC-m202 [0,1,0,1,0,0|2,0,0]=4 106 B8R1.23 CN1CC(C(=O)O)C1 SPC-a114 [0,1,0,1,0,0|2,0,0]=4 107 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 SPC-i346 [0,1,0,1,0,0|2,0,0]=4 108 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 SPC-i384 [0,1,0,1,0,0|2,0,0]=4 109 B8R1.23 NC1CC(C(=O)O)C1 SPC-q735 [0,1,0,1,0,0|2,0,0]=4 110 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SPC-h937 [0,1,0,1,0,0|2,0,0]=4 111 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 SPC-i508 [0,1,0,1,0,0|2,0,0]=4 112 B8R1.23 O=C(O)C1CC(Cl)C1 SPC-h856 [0,1,0,1,0,0|2,0,0]=4 113 B8R1.23 O=C(O)C1CC(F)C1 SPC-a125 [0,1,0,1,0,0|2,0,0]=4 114 B8R1.23 O=C(O)C1CC(O)C1 SPC-p384 [0,1,0,1,0,0|1,1,0]=4 115 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 SPC-q739 [0,1,0,1,0,0|2,0,0]=4 116 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 SPC-h918 [0,1,0,1,0,0|1,1,0]=4 117 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 SPC-h952 [0,1,0,1,0,0|2,0,0]=4 118 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 SPC-q738 [0,1,0,1,0,0|2,0,0]=4 119 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 SPC-i654 [0,1,0,1,0,0|1,1,0]=4 120 B8R1.23 O=C1CC(C(=O)O)C1 SPC-g640 [0,1,0,1,0,0|1,1,0]=4 121 B8R1.23 O=C1C[C@@H](C(=O)O)N1 SPC-i679 [0,1,0,1,0,0|0,1,0]=3 122 B8R1.23 O=C1C[C@@H](C(=O)O)O1 SPC-u889 [0,1,0,1,0,0|1,1,0]=4 123 B8R1.23 O=C1C[C@H](C(=O)O)N1 SPC-i186 [0,1,0,1,0,0|0,1,0]=3 124 B8R1.78 CC1(C(=O)O)CCC1 SPC-h853 [0,1,0,1,0,0|2,0,0]=4 125 B8R1.78 CC1(C(=O)O)CNC1 SPC-n023 [0,1,0,1,0,0|2,0,0]=4 126 B8R1.78 CC1(C(=O)O)COC1 SPC-a022 [0,1,0,1,0,0|1,1,0]=4 127 B8R1.78 C[C@@]1(C(=O)O)CCO1 SPC-w005 [0,1,0,1,0,0|1,1,0]=4 128 B8R1.78 C[C@@]1(C(=O)O)CCO1 SPC-w005 [0,1,0,1,0,0|1,1,0]=4 129 B8R1.78 NC1(C(=O)O)CCC1 SPC-h208 [0,1,0,1,0,0|1,0,0]=3 130 B8R1.78 NC1(C(=O)O)CCC1 SPC-h754 [0,1,0,1,0,0|1,0,0]=3 131 B8R1.78 NC1(C(=O)O)CNC1 SPC-i658 [0,1,0,1,0,0|1,0,0]=3 132 B8R1.78 NC1(C(=O)O)COC1 SPC-a068 [0,1,0,1,0,0|0,1,0]=3 133 B8R1.78 O=C(O)C1(Br)CCC1 SPC-t595 [0,1,0,1,0,0|2,0,0]=4 134 B8R1.78 O=C(O)C1(F)CNC1 SPC-i807 [0,1,0,1,0,0|2,0,0]=4 135 B8R1.78 O=C(O)C1(O)CCC1 SPC-n942 [0,1,0,1,0,0|2,0,0]=4 136 B8R1.78 O=C(O)C1(O)CNC1 SPC-p383 [0,1,0,1,0,0|2,0,0]=4 137 B8R1.78 O=C(O)C1(O)COC1 SPC-r004 [0,1,0,1,0,0|1,1,0]=4 138 B8R1.11 N#C[C@H]1CSCC1=O SPC-p598 [0,1,0,1,0,0|1,0,1]=4 139 B8R1.38 COC(=O)C1CNC1 SPC-g203 [0,1,0,1,0,0|2,0,0]=4 140 B8R1.38 COC(=O)C1COC1 SPC-i614 [0,1,0,1,0,0|1,1,0]=4 141 B8R1.38 COC(=O)[C@@H]1CCN1 SPC-h839 [0,1,0,1,0,0|1,0,0]=3 142 B8R1.38 COC(=O)[C@@H]1CCN1 SPC-m118 [0,1,0,1,0,0|1,0,0]=3 143 B8R1.38 COC(=O)[C@H]1CCN1 SPC-h849 [0,1,0,1,0,0|1,0,0]=3 144 B8R1.39 COC(=O)C1(Br)CC1 SPC-t196 [0,1,0,1,0,0|2,0,0]=4 145 B8R1.39 COC(=O)C1(N)CC1 SPC-n419 [0,1,0,1,0,0|1,0,0]=3 146 B8R1.39 COC(=O)C1(O)CC1 SPC-g901 [0,1,0,1,0,0|2,0,0]=4 147 B8R1.50 CN1CC[C@@H](N)C1=O SPC-v521 [0,1,0,1,0,0|2,0,0]=4 148 B8R1.63 CCC1(C(=O)O)CC1 SPC-k413 [0,1,0,1,0,0|2,0,0]=4 149 B8R1.63 O=C(O)C1(CO)CC1 SPC-s736 [0,1,0,1,0,0|1,1,0]=4 150 B8R1.77 O=C(O)[C@@H]1CC1(F)F SPC-n672 [0,1,0,1,0,0|2,0,0]=4 151 B8R1.77 O=C(O)[C@H]1CC1(F)F SPC-j902 [0,1,0,1,0,0|2,0,0]=4 152 B8R1.77 O=C(O)[C@H]1CC1(F)F SPC-q542 [0,1,0,1,0,0|2,0,0]=4