0 B8R0.28 CC(C)C\C=C\C(=O)O SC-96534 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.28 CN(C)C\C=C\C(=O)O SC-20214 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.28 CN(C)C\C=C\C(=O)O SC-82699 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.4 CC(C)CCON=O SC-22768 [1,0,0,0,0,0|1,0,0]=2 4 B7R0.4 CCCC#CC(=O)O SC-96568 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.4 CCCNCC(=O)O SC-97541 [1,0,0,0,0,0|3,0,0]=4 6 B7R0.4 CCCSCC(=O)O SC-45283 [1,0,0,0,0,0|3,0,0]=4 7 B7R0.4 CCC\C=C\C(C)=O SC-49007 [1,0,0,0,0,0|1,0,1]=3 8 B7R0.4 CNCCCC(=O)O SC-49793 [1,0,0,0,0,0|3,0,0]=4 9 B7R0.4 CNCCCC(=O)O SC-A2900 [1,0,0,0,0,0|3,0,0]=4 10 B7R0.4 CNCCCN(C)C SC-95620 [1,0,0,0,0,0|3,0,0]=4 11 B7R0.4 COCCCC(=O)O SC-51378 [1,0,0,0,0,0|3,0,0]=4 12 B7R0.4 COCCNC(N)=O SC-62189 [1,0,0,0,0,0|3,0,0]=4 13 B7R0.4 NC(=O)CCCCBr SC-98143 [1,0,0,0,0,0|3,0,0]=4 14 B7R0.4 NCCCCC(=O)O SC-10120 [1,0,0,0,0,0|3,0,0]=4 15 B7R0.4 NCCCCC(=O)O SC-92391 [1,0,0,0,0,0|3,0,0]=4 16 B7R0.4 NCCCCC(N)=O SC-94858 [1,0,0,0,0,0|3,0,0]=4 17 B7R0.4 NCCCCC(N)=O SC-A4262 [1,0,0,0,0,0|3,0,0]=4 18 B7R0.4 O=C(Cl)CCCCBr SC-13447 [1,0,0,0,0,0|3,0,0]=4 19 B7R0.4 O=C(Cl)CCCCCl SC-16009 [1,0,0,0,0,0|3,0,0]=4 20 B7R0.4 O=C(O)CCCCBr SC-02338 [1,0,0,0,0,0|3,0,0]=4 21 B9R0.1 CC(C)=CCCC(C)C=O SC-79180 [0,1,0,0,0,0|2,0,1]=4 22 B9R0.7 CC(C)CC[C@H](N)C(=O)O SC-93270 [0,1,0,0,0,0|2,0,0]=3 23 B9R0.53 CC(=O)CC(=O)OC(C)C SC-18510 [0,1,0,0,0,0|2,0,1]=4 24 B9R0.53 CC(C)C[C@H](N)CC(=O)O SC-26176 [0,1,0,0,0,0|2,0,0]=3 25 B9R0.56 CC(=O)OCC[N+](C)(C)C SC-46171 [0,1,0,0,0,0|1,0,0]=2 26 B9R0.56 CC(=O)OCC[N+](C)(C)C SC-94067 [0,1,0,0,0,0|1,0,0]=2 27 B9R0.56 CC(=O)SCC[N+](C)(C)C SC-90575 [0,1,0,0,0,0|1,1,0]=3 28 B9R1.35 CC(=O)N1CCC(O)C1 SC-00079 [0,0,0,1,0,0|2,0,0]=3 29 B9R1.35 CC(C)[C@@H]1CSC(=S)N1 SC-49794 [0,0,0,1,0,0|1,2,0]=4 30 B9R1.35 CN1CCC(C(=O)O)C1 SC-38317 [0,0,0,1,0,0|3,0,0]=4 31 B9R1.35 CN1CCC(C(=O)O)C1 SC-71513 [0,0,0,1,0,0|3,0,0]=4 32 B9R1.35 NC1CCC(C(=O)O)C1 SC-62151 [0,0,0,1,0,0|3,0,0]=4 33 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 SC-82495 [0,0,0,1,0,0|3,0,0]=4 34 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 SC-93696 [0,0,0,1,0,0|3,0,0]=4 35 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 SC-48064 [0,0,0,1,0,0|3,0,0]=4 36 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 SC-93674 [0,0,0,1,0,0|3,0,0]=4 37 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 SC-52614 [0,0,0,1,0,0|3,0,0]=4 38 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 SC-69232 [0,0,0,1,0,0|3,0,0]=4 39 B9R1.35 O=C(O)C1CCC(O)C1 SC-48116 [0,0,0,1,0,0|3,0,0]=4 40 B9R1.35 [C@@H]1(C(C)C)COC(=O)N1 SC-07436 [0,0,0,1,0,0|1,0,0]=2 41 B9R1.35 [C@H]1(C(C)C)COC(=O)N1 SC-01650 [0,0,0,1,0,0|1,0,0]=2 42 B9R1.35 [C@H]1(C(C)C)CSC(=S)N1 SC-08832 [0,0,0,1,0,0|1,2,0]=4 43 B9R1.49 CN1CCCC(=O)CC1 SC-01972 [0,0,0,1,0,0|2,0,0]=3 44 B9R1.53 CC(=O)OC1CC(=O)C1 SC-22301 [0,0,0,1,0,0|1,0,1]=3 45 B9R1.53 CC(=O)OC1CC(=O)N1 SC-20312 [0,0,0,1,0,0|2,0,1]=4 46 B9R1.66 CC1(C)CC(=O)CCO1 SC-22069 [0,0,0,1,0,0|2,0,0]=3 47 B9R1.66 CC1(C)CC(N)CCO1 SC-A4709 [0,0,0,1,0,0|2,0,1]=4 48 B9R1.66 CC1(C)CCCC(=O)C1 SC-67598 [0,0,0,1,0,0|1,0,0]=2 49 B7R0.6 CC(=O)OCC(C)C SC-25600 [0,0,0,0,1,0|0,0,0]=1 50 B7R0.6 CC(=O)\C=C\N(C)C SC-92543 [0,0,0,0,1,0|1,0,2]=4 51 B7R0.6 CC(C)CCC(=O)O SC-57917 [0,0,0,0,1,0|1,0,0]=2 52 B7R0.6 CC(C)CC[N+](=O)[O-] SC-93989 [0,0,0,0,1,0|2,0,0]=3 53 B7R0.6 CC(C)CNC(N)=S SC-88305 [0,0,0,0,1,0|2,1,0]=4 54 B7R0.6 CC(C)OCC(=O)O SC-88240 [0,0,0,0,1,0|2,0,0]=3 55 B7R0.6 CC(Cl)CCC(=O)Cl SC-74180 [0,0,0,0,1,0|2,0,0]=3 56 B7R0.6 CC(O)CCC(C)O SC-92842 [0,0,0,0,1,0|1,0,2]=4 57 B7R0.6 CN(C)CCC(=O)O SC-84721 [0,0,0,0,1,0|2,0,0]=3 58 B7R0.6 CN(C)CCC(=O)O SC-98010 [0,0,0,0,1,0|2,0,0]=3 59 B7R0.6 CN(C)CCC(N)=O SC-89196 [0,0,0,0,1,0|2,0,0]=3 60 B7R0.6 C[C@@H](O)COC(=O)O SC-01561 [0,0,0,0,1,0|2,0,0]=3 61 B7R0.6 C[C@H](O)CC[C@H](C)O SC-03635 [0,0,0,0,1,0|1,0,2]=4 62 B6R0.4 C=C(C)CNCC SC-47240 [2,0,0,0,0,0|2,0,0]=4 63 B6R0.4 CC(=O)CCCBr SC-91341 [2,0,0,0,0,0|1,0,0]=3 64 B6R0.4 CC(=O)NCCN SC-19651 [2,0,0,0,0,0|2,0,0]=4 65 B6R0.4 CCCCC(=O)Cl SC-46867 [2,0,0,0,0,0|1,0,0]=3 66 B6R0.4 CN(C)CCC=O SC-12823 [2,0,0,0,0,0|1,0,0]=3 67 B6R0.4 CNCCC(=O)O SC-27492 [2,0,0,0,0,0|2,0,0]=4 68 B6R0.4 CNCCC(=O)O SC-52914 [2,0,0,0,0,0|2,0,0]=4 69 B6R0.4 CNCCN(C)C SC-29103 [2,0,0,0,0,0|2,0,0]=4 70 B6R0.4 COCCC(=O)O SC-50255 [2,0,0,0,0,0|2,0,0]=4 71 B6R0.4 COCCN(C)C SC-21743 [2,0,0,0,0,0|1,0,0]=3 72 B6R0.4 CSCCC(=O)O SC-96567 [2,0,0,0,0,0|2,0,0]=4 73 B6R0.4 NCCCC(=O)O SC-10045 [2,0,0,0,0,0|2,0,0]=4 74 B6R0.4 O=C(Cl)CCCBr SC-70369 [2,0,0,0,0,0|2,0,0]=4 75 B6R0.4 O=C(O)CCCCl SC-89723 [2,0,0,0,0,0|2,0,0]=4 76 B6R0.6 CCCCCNC SC-25672 [2,0,0,0,0,0|2,0,0]=4 77 B6R0.6 CCCCON=O SC-70750 [2,0,0,0,0,0|1,0,0]=3 78 B6R0.6 CCC\C=C\C=O SC-25240 [2,0,0,0,0,0|1,0,1]=4 79 B6R0.6 CCOCCCO SC-00354 [2,0,0,0,0,0|1,0,1]=4 80 B6R0.6 C\C=C\CCCO SC-48265 [2,0,0,0,0,0|2,0,0]=4 81 B6R0.6 O=CCCCCCl SC-A3300 [2,0,0,0,0,0|2,0,0]=4 82 B8R0.6 CCCSCC(=O)OC SC-44744 [1,1,0,0,0,0|2,0,0]=4 83 B8R0.6 COC(=O)CCCCBr SC-66180 [1,1,0,0,0,0|2,0,0]=4 84 B8R0.7 CC(C)OCCCCO SC-82574 [1,1,0,0,0,0|1,0,1]=4 85 B8R0.7 CCCCOCC(=O)O SC-22619 [1,1,0,0,0,0|1,0,0]=3 86 B8R0.7 COCCOCC(=O)O SC-89730 [1,1,0,0,0,0|2,0,0]=4 87 B8R0.7 NCCCCCC(=O)O SC-10067 [1,1,0,0,0,0|2,0,0]=4 88 B8R0.7 O=C(O)CCCCCBr SC-04420 [1,1,0,0,0,0|2,0,0]=4 89 B8R0.7 O=C(O)CCCCCO SC-17400 [1,1,0,0,0,0|2,0,0]=4 90 B8R0.7 O=C([O-])CCCCCO SC-82416 [1,1,0,0,0,0|2,0,0]=4 91 B8R0.7 O=[N+]([O-])OCCCCO SC-13995 [1,1,0,0,0,0|2,0,0]=4 92 B8R0.8 CCCCC(=O)C(=O)[O-] SC-94857 [1,1,0,0,0,0|2,0,0]=4 93 B8R0.8 CCCCC(N)C(=O)O SC-10365 [1,1,0,0,0,0|2,0,0]=4 94 B8R0.8 CCCC[C@@H](N)C(=O)O SC-10363 [1,1,0,0,0,0|2,0,0]=4 95 B8R0.9 CC(=O)OCC(=O)CCl SC-53558 [1,1,0,0,0,0|1,0,1]=4 96 B8R0.23 C=C(CC(C)C)C(C)=O SC-A2921 [0,1,0,0,1,0|0,0,1]=3 97 B8R0.23 CC(=O)CC(O)[C@H](C)N SC-76554 [0,1,0,0,1,0|1,0,0]=3 98 B8R0.23 CC(C)CC(Br)C(=O)O SC-A4035 [0,1,0,0,1,0|1,0,0]=3 99 B8R0.23 CC(C)CC(N)C(=O)O SC-09638 [0,1,0,0,1,0|1,0,0]=3 100 B8R0.23 CC(C)CC(N)C(=O)O SC-09639 [0,1,0,0,1,0|1,0,0]=3 101 B8R0.23 CC(C)C[C@@H](N)C(=O)O SC-09637 [0,1,0,0,1,0|1,0,0]=3 102 B8R0.23 CC(C)C[C@@H](O)C(=O)O SC-13459 [0,1,0,0,1,0|1,0,0]=3 103 B8R0.23 CC(C)C[C@H](N)C(N)=O SC-09656 [0,1,0,0,1,0|1,0,0]=3 104 B8R0.29 CC(C)(C)NCC(=O)O SC-82899 [0,1,0,0,1,0|2,0,0]=4 105 B8R0.29 CC(C)(C)OCC(=O)O SC-46034 [0,1,0,0,1,0|2,0,0]=4 106 B10R0.96 CC(=O)CCC(=O)OC(C)C SC-94827 [0,1,0,0,0,1|1,0,1]=4 107 B10R0.3 CC(C)=CCC[C@H](C)CCO SC-49208 [0,2,0,0,0,0|2,0,0]=4 108 B10R0.44 COC(=O)CC(=O)CC(C)C SC-53185 [0,2,0,0,0,0|1,0,1]=4 109 B10R0.92 CC(C)[C@@H](N)COP(=O)(O)O SC-44305 [0,2,0,0,0,0|2,0,0]=4 110 B10R0.31 CC(C[N+](C)(C)C)OC(N)=O SC-76414 [0,2,0,0,0,0|2,0,0]=4 111 B10R0.70 CC(C)C[C@H](CN)CC(=O)O SC-11867 [0,2,0,0,0,0|2,0,0]=4 112 B8R1.1 O=C1CC(CO)CN1 SC-66045 [1,0,0,1,0,0|2,0,0]=4 113 B8R1.1 O=C1N[C@@H](CO)CO1 SC-33166 [1,0,0,1,0,0|2,0,0]=4 114 B8R1.4 CC1CC(=O)CCN1 SC-14913 [1,0,0,1,0,0|2,0,0]=4 115 B8R1.4 CC1CC(=O)CCN1 SC-26346 [1,0,0,1,0,0|2,0,0]=4 116 B8R1.4 CC1CC(=O)CCO1 SC-43658 [1,0,0,1,0,0|2,0,0]=4 117 B8R1.4 CC1CC(O)CCO1 SC-15639 [1,0,0,1,0,0|1,0,1]=4 118 B8R1.4 CC1CCCC(=O)N1 SC-90092 [1,0,0,1,0,0|2,0,0]=4 119 B8R1.4 CC1CCNC(=O)C1 SC-65553 [1,0,0,1,0,0|1,0,0]=3 120 B8R1.4 CC1CCNC(C)C1 SC-05916 [1,0,0,1,0,0|1,0,1]=4 121 B8R1.4 CN1CCCC(=O)C1 SC-88063 [1,0,0,1,0,0|2,0,0]=4 122 B8R1.4 CN1CCNC(=O)C1 SC-43594 [1,0,0,1,0,0|2,0,0]=4 123 B8R1.4 O=C1CC(O)CCN1 SC-14921 [1,0,0,1,0,0|2,0,0]=4 124 B8R1.4 O=C1CC(O)CCN1 SC-26449 [1,0,0,1,0,0|2,0,0]=4 125 B8R1.4 O=C1CCCC(O)C1 SC-52929 [1,0,0,1,0,0|2,0,0]=4 126 B8R1.7 CC(=O)C1CCCC1 SC-69830 [1,0,0,1,0,0|1,0,0]=3 127 B8R1.7 O=C(Cl)C1CCCC1 SC-45320 [1,0,0,1,0,0|2,0,0]=4 128 B8R1.7 O=C(Cl)N1CCCC1 SC-72914 [1,0,0,1,0,0|2,0,0]=4 129 B8R1.7 O=C(O)C1CCCC1 SC-18675 [1,0,0,1,0,0|2,0,0]=4 130 B8R1.19 CC1(C)CCOC1=O SC-15803 [1,0,0,1,0,0|0,0,0]=2 131 B8R1.22 O=C1C=CCCCC1 SC-99582 [1,0,0,1,0,0|1,0,1]=4 132 B8R1.22 O=C1CCCNCC1 SC-20974 [1,0,0,1,0,0|2,0,0]=4 133 B8R1.22 O=C1CCCNCC1 SC-20993 [1,0,0,1,0,0|2,0,0]=4 134 B8R1.22 O=C1CCNCCN1 SC-05951 [1,0,0,1,0,0|2,0,0]=4 135 B8R1.22 O=C1CNCCCN1 SC-21981 [1,0,0,1,0,0|2,0,0]=4 136 B8R1.34 O=C(O)CC1CCC1 SC-26391 [1,0,0,1,0,0|2,0,0]=4 137 B8R1.35 O=C(O)CCC1CC1 SC-31428 [1,0,0,1,0,0|2,0,0]=4 138 B8R1.72 CC1(C)CCCNC1 SC-A4757 [1,0,0,1,0,0|2,0,0]=4 139 B8R1.72 O=S1(=O)CCCCO1 SC-15335 [1,0,0,1,0,0|2,0,0]=4 140 B8R1.3 CC1=CCC(=O)CC1 SC-25236 [0,0,0,1,1,0|0,0,2]=4 141 B8R1.3 CC1=CCC(=O)CC1 SC-83877 [0,0,0,1,1,0|0,0,2]=4 142 B8R1.3 CC1CCC(N)CC1 SC-15967 [0,0,0,1,1,0|1,0,1]=4 143 B8R1.3 CC1CCC(N)CC1 SC-54542 [0,0,0,1,1,0|1,0,1]=4 144 B8R1.3 CN1CCC(=O)CC1 SC-01124 [0,0,0,1,1,0|1,0,0]=3 145 B8R1.3 CN1CCC(=O)CC1 SC-90211 [0,0,0,1,1,0|1,0,0]=3 146 B8R1.3 NC1CCC(=O)CC1 SC-51421 [0,0,0,1,1,0|1,0,0]=3 147 B8R1.3 NC1CCC(=O)CC1 SC-94303 [0,0,0,1,1,0|1,0,0]=3 148 B8R1.3 N[C@H]1CCC(=O)NC1 SC-A3084 [0,0,0,1,1,0|2,0,0]=4 149 B8R1.3 O=C1CCC(=O)CC1 SC-15336 [0,0,0,1,1,0|1,0,1]=4 150 B8R1.3 O=C1CCC(O)CC1 SC-22101 [0,0,0,1,1,0|1,0,0]=3 151 B8R1.3 O=C1CCC(O)CN1 SC-14920 [0,0,0,1,1,0|2,0,0]=4 152 B8R1.23 CC(=O)N1CC(N)C1 SC-51444 [0,0,0,1,1,0|2,0,0]=4 153 B8R1.23 CC(=O)N1CC(N)C1 SC-A3072 [0,0,0,1,1,0|2,0,0]=4 154 B8R1.23 CC1CC(C(=O)O)C1 SC-73078 [0,0,0,1,1,0|1,0,0]=3 155 B8R1.23 CN1CC(C(=O)O)C1 SC-49053 [0,0,0,1,1,0|2,0,0]=4 156 B8R1.23 O=C(O)C1CC(F)C1 SC-26589 [0,0,0,1,1,0|2,0,0]=4 157 B8R1.51 CC1(C)C=CC(=O)C1 SC-91103 [0,0,0,1,1,0|0,0,2]=4 158 B8R1.51 CC1(C)CCC(=O)O1 SC-21203 [0,0,0,1,1,0|1,0,0]=3 159 B8R1.51 CC1(C)CNC(=O)C1 SC-70558 [0,0,0,1,1,0|1,0,0]=3 160 B10R1.54 CC(C)CC1CNC(=O)C1 SC-94804 [0,0,0,1,0,1|1,0,0]=3 161 B10R1.113 CC(=O)N1CCC[C@H](O)C1 SC-88350 [0,0,0,1,0,1|2,0,0]=4 162 B10R1.113 C[C@@H]1CCN[C@@H](C(=O)[O-])C1 SC-15310 [0,0,0,1,0,1|2,0,0]=4 163 B10R1.13 CC(=O)N1CCC(N)CC1 SC-92386 [0,1,0,1,0,0|2,0,0]=4 164 B10R1.13 CC(=O)N1CCC(O)CC1 SC-15455 [0,1,0,1,0,0|2,0,0]=4 165 B10R1.13 CN(C)C1CCC(=O)CC1 SC-85674 [0,1,0,1,0,0|2,0,0]=4 166 B10R1.14 COC(=O)C1CCC(O)C1 SC-A2862 [0,1,0,1,0,0|2,0,0]=4 167 B10R1.14 COC(=O)C1CCC(O)C1 SC-A3344 [0,1,0,1,0,0|2,0,0]=4 168 B10R1.14 COC(=O)[C@H]1CC[C@H](O)C1 SC-84077 [0,1,0,1,0,0|2,0,0]=4 169 B10R1.31 CC(=O)N1CCC(CBr)C1 SC-92944 [0,1,0,1,0,0|1,0,0]=3 170 B10R1.329 CC1(C)CC(=O)CC(=O)C1 SC-17394 [0,1,0,1,0,0|1,0,1]=4 171 B10R1.329 CC1(C)CC(=O)NC(=O)C1 SC-99802 [0,1,0,1,0,0|1,0,1]=4 172 B10R1.329 CC1(C)CC(=O)OC(=O)C1 SC-A4598 [0,1,0,1,0,0|0,0,1]=3 173 B10R1.329 CC1CC(=O)CC(C)(C)C1 SC-95744 [0,1,0,1,0,0|1,0,0]=3 174 B6R0.2 CC(=O)CC(C)=O SC-77723 [0,0,0,0,2,0|1,0,1]=4 175 B6R0.2 CC(=O)NC(C)C SC-A3057 [0,0,0,0,2,0|1,0,0]=3 176 B6R0.2 CC(=O)OC(C)C SC-25616 [0,0,0,0,2,0|0,0,0]=2 177 B6R0.2 CC(C)OC(C)C SC-65190 [0,0,0,0,2,0|1,0,1]=4 178 B6R0.2 CC(Cl)OC(=O)Cl SC-13624 [0,0,0,0,2,0|2,0,0]=4 179 B6R0.2 CN(C)CC(N)=O SC-89197 [0,0,0,0,2,0|2,0,0]=4 180 B6R0.2 C[C@@H](N)CC(=O)O SC-10059 [0,0,0,0,2,0|2,0,0]=4 181 B6R0.2 C[C@@H](N)CC(=O)O SC-44142 [0,0,0,0,2,0|2,0,0]=4 182 B6R0.2 C[C@H](N)CC(=O)O SC-21979 [0,0,0,0,2,0|2,0,0]=4 183 B6R0.2 C[C@H](O)CC(=O)O SC-B3327 [0,0,0,0,2,0|2,0,0]=4 184 B6R0.2 C[S+](C)CC(=O)[O-] SC-72907 [0,0,0,0,2,0|2,0,0]=4