0 B7R0.4 C#CCCOC(=O)Cl SC-53146 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.4 C#CCCOC(C)=O SC-50550 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.4 C=C(C)CCCCBr SC-31361 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.4 C=C(C)CCCCO SC-32201 [0,0,0,0,0,0|2,0,0]=2 4 B7R0.4 C=CCOCC(=O)O SC-35140 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.4 CC(=O)NCCCN SC-51489 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.4 CCCCCC(C)O SC-81258 [0,0,0,0,0,0|0,0,2]=2 7 B7R0.4 CCC\C=C\C(=O)O SC-39942 [0,0,0,0,0,0|1,0,2]=3 8 B7R0.4 CCOCCC(=N)N SC-40468 [0,0,0,0,0,0|3,0,0]=3 9 B7R0.4 CN(C)CCCCBr SC-48986 [0,0,0,0,0,0|3,0,0]=3 10 B7R0.4 COC\C=C/C(C)=O SC-66315 [0,0,0,0,0,0|1,0,2]=3 11 B7R0.4 N=C(N)CCCCCl SC-55396 [0,0,0,0,0,0|3,0,0]=3 12 B7R0.4 O=C(O)CCCCCl SC-57902 [0,0,0,0,0,0|2,0,0]=2 13 B6R0.4 C=C(C)CCCBr SC-32900 [1,0,0,0,0,0|2,0,0]=3 14 B6R0.4 C=C(C)CCCO SC-14313 [1,0,0,0,0,0|2,0,0]=3 15 B6R0.4 C=CCNC(C)=O SC-48071 [1,0,0,0,0,0|1,0,2]=4 16 B6R0.4 CC(=O)NCCCl SC-49821 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.4 CC(=O)OCCO SC-95931 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.4 CC(Br)CCCBr SC-74609 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.4 CC(C)=CCCO SC-52391 [1,0,0,0,0,0|2,0,1]=4 20 B6R0.4 CC(C)CCCO SC-67391 [1,0,0,0,0,0|2,0,1]=4 21 B6R0.4 CCCCB(O)O SC-04512 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.4 CCCNC(C)C SC-50047 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.4 CCCOC(=O)Cl SC-19101 [1,0,0,0,0,0|2,0,0]=3 24 B6R0.4 COCCC(=N)N SC-40396 [1,0,0,0,0,0|3,0,0]=4 25 B6R0.4 N#CCCC(=O)O SC-49854 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.4 N=C(N)CCCBr SC-59652 [1,0,0,0,0,0|3,0,0]=4 27 B6R0.4 N=C(N)CCCCl SC-55395 [1,0,0,0,0,0|3,0,0]=4 28 B6R0.4 N=C(N)CCCO SC-70213 [1,0,0,0,0,0|3,0,0]=4 29 B6R0.4 NC(=O)CCCO SC-12258 [1,0,0,0,0,0|2,0,0]=3 30 B6R0.4 O=C(Cl)OCCF SC-53156 [1,0,0,0,0,0|3,0,0]=4 31 B6R0.4 O=C(O)CCCBr SC-02994 [1,0,0,0,0,0|2,0,0]=3 32 B6R0.6 C=CCCCC=O SC-34117 [1,0,0,0,0,0|0,0,2]=3 33 B6R0.6 C=CCCCCN SC-34878 [1,0,0,0,0,0|1,0,1]=3 34 B6R0.6 C=CCCCCO SC-44461 [1,0,0,0,0,0|1,0,1]=3 35 B6R0.6 C=CCCCC[Zn+] SC-89392 [1,0,0,0,0,0|1,0,1]=3 36 B6R0.6 C=CCOCCI SC-50512 [1,0,0,0,0,0|2,0,1]=4 37 B6R0.6 C=CCOCCO SC-25613 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.6 CCCCCCO SC-22734 [1,0,0,0,0,0|0,0,2]=3 39 B6R0.6 CCCCNCC SC-47234 [1,0,0,0,0,0|1,0,1]=3 40 B6R0.6 CCCNCCO SC-20196 [1,0,0,0,0,0|1,0,2]=4 41 B6R0.6 CCOCCCN SC-74768 [1,0,0,0,0,0|2,0,1]=4 42 B6R0.6 COCCCC=O SC-88270 [1,0,0,0,0,0|1,0,0]=2 43 B6R0.6 ClCCCCCBr SC-26019 [1,0,0,0,0,0|2,0,1]=4 44 B6R0.6 N#CCCCCBr SC-13250 [1,0,0,0,0,0|2,0,1]=4 45 B6R0.6 N#CCCCCO SC-14232 [1,0,0,0,0,0|2,0,1]=4 46 B6R0.6 O=C=NCCCCl SC-77667 [1,0,0,0,0,0|2,0,1]=4 47 B8R0.5 CCOC(=O)CC(C)=O SC-18922 [0,1,0,0,0,0|1,0,1]=3 48 B8R0.6 C=CC(O)CCCCC SC-18002 [0,1,0,0,0,0|0,0,3]=4 49 B8R0.6 CNCCCC(=O)NC SC-51967 [0,1,0,0,0,0|1,0,0]=2 50 B8R0.7 C=CCCOCC(=O)O SC-35006 [0,1,0,0,0,0|1,0,2]=4 51 B8R0.7 CC(C)CCCCCBr SC-22592 [0,1,0,0,0,0|1,0,1]=3 52 B8R0.7 CC(C)CCCCCO SC-51101 [0,1,0,0,0,0|1,0,1]=3 53 B8R0.7 CCCCCOC(=O)Cl SC-18359 [0,1,0,0,0,0|1,0,0]=2 54 B8R0.7 CCOCCOC(=O)Cl SC-51564 [0,1,0,0,0,0|2,0,0]=3 55 B8R0.7 COCCCOC(C)=O SC-26578 [0,1,0,0,0,0|1,0,0]=2 56 B8R0.7 COCOCCC(=O)O SC-50551 [0,1,0,0,0,0|2,0,0]=3 57 B8R0.7 CSCC\C=C\C(=O)O SC-39251 [0,1,0,0,0,0|1,0,2]=4 58 B8R0.8 CCCCC(Br)C(=O)Cl SC-66293 [0,1,0,0,0,0|1,0,0]=2 59 B8R0.8 CCCCC(C)C(=O)Cl SC-40559 [0,1,0,0,0,0|1,0,0]=2 60 B8R0.8 CCOC[C@H](N)C(=O)O SC-68756 [0,1,0,0,0,0|2,0,0]=3 61 B8R0.8 COCC[C@@H](N)C(=O)O SC-49310 [0,1,0,0,0,0|2,0,0]=3 62 B8R0.8 CSCC[C@H](N)C(=O)O SC-09744 [0,1,0,0,0,0|2,0,0]=3 63 B8R0.8 NCCC[C@H](N)C(=O)O SC-10386 [0,1,0,0,0,0|2,0,0]=3 64 B8R0.9 COC(=O)CCC(N)=O SC-88449 [0,1,0,0,0,0|2,0,1]=4 65 B8R0.9 COC(=O)CNC(C)=O SC-66088 [0,1,0,0,0,0|2,0,1]=4 66 B8R0.9 NCC(=O)CCC(=O)O SC-52394 [0,1,0,0,0,0|2,0,1]=4 67 B8R0.21 CCCCOP(C)(=O)Cl SC-51943 [0,1,0,0,0,0|2,0,0]=3 68 B8R0.28 C=C(C)CCCC(=O)O SC-31519 [0,1,0,0,0,0|1,0,1]=3 69 B8R0.28 CN(C)CCCC(=N)N SC-42054 [0,1,0,0,0,0|3,0,0]=4 70 B8R0.28 NC(=O)CCCC(N)=O SC-87623 [0,1,0,0,0,0|2,0,1]=4 71 B8R0.28 O=C(O)CCCC(=O)O SC-16305 [0,1,0,0,0,0|2,0,1]=4 72 B8R1.1 CNC1CCN(C)C1 SC-46028 [0,0,0,1,0,0|3,0,0]=4 73 B8R1.1 COC1=CC(=O)CC1 SC-21379 [0,0,0,1,0,0|1,0,2]=4 74 B8R1.1 COC1CCN(N)C1 SC-29869 [0,0,0,1,0,0|3,0,0]=4 75 B8R1.1 NN1CCC(CO)C1 SC-14793 [0,0,0,1,0,0|3,0,0]=4 76 B8R1.1 O=C1NC[C@H](CCl)O1 SC-73276 [0,0,0,1,0,0|3,0,0]=4 77 B8R1.1 O=C1N[C@H](CO)CO1 SC-33358 [0,0,0,1,0,0|3,0,0]=4 78 B8R1.4 CC1CCCC(N)C1 SC-22240 [0,0,0,1,0,0|1,0,1]=3 79 B8R1.4 CN1CCCC(Br)C1 SC-68851 [0,0,0,1,0,0|2,0,1]=4 80 B8R1.4 CN1CCCC(N)C1 SC-48794 [0,0,0,1,0,0|2,0,1]=4 81 B8R1.4 CN1CCCC(N)C1 SC-52262 [0,0,0,1,0,0|2,0,1]=4 82 B8R1.4 C[C@H]1CCCC(=O)N1 SC-51761 [0,0,0,1,0,0|1,0,0]=2 83 B8R1.4 C[C@H]1CCC[C@@H](C)N1 SC-16095 [0,0,0,1,0,0|1,0,1]=3 84 B8R1.4 C[C@H]1COC[C@@H](C)N1 SC-67151 [0,0,0,1,0,0|2,0,1]=4 85 B8R1.4 NC1CCCC(N)C1 SC-21517 [0,0,0,1,0,0|2,0,1]=4 86 B8R1.4 NN1CCCC(F)C1 SC-29810 [0,0,0,1,0,0|3,0,0]=4 87 B8R1.4 NN1CCCC(O)C1 SC-14797 [0,0,0,1,0,0|3,0,0]=4 88 B8R1.4 N[C@H]1CCC[C@H](O)C1 SC-43596 [0,0,0,1,0,0|1,0,2]=4 89 B8R1.6 COCC1CC(=O)C1 SC-65908 [0,0,0,1,0,0|1,0,0]=2 90 B8R1.6 N#CCN1CC(=O)C1 SC-39556 [0,0,0,1,0,0|2,0,1]=4 91 B8R1.6 NCCN1CC(=O)C1 SC-39286 [0,0,0,1,0,0|2,0,0]=3 92 B8R1.6 O=C1CN(CCCl)C1 SC-39600 [0,0,0,1,0,0|2,0,0]=3 93 B8R1.7 CC(=O)C1CCCC1 SC-34558 [0,0,0,1,0,0|0,0,0]=1 94 B8R1.7 CC(O)C1CCCC1 SC-22091 [0,0,0,1,0,0|0,0,2]=3 95 B8R1.7 C[C@H](N)C1CCCC1 SC-69769 [0,0,0,1,0,0|1,0,1]=3 96 B8R1.7 N=C(N)C1CCCC1 SC-12462 [0,0,0,1,0,0|2,0,0]=3 97 B8R1.7 N=C(N)C1CCCO1 SC-54449 [0,0,0,1,0,0|3,0,0]=4 98 B8R1.7 NC(=O)[C@H]1CCCN1 SC-09817 [0,0,0,1,0,0|2,0,0]=3 99 B8R1.7 NC(=S)N1CCCC1 SC-59760 [0,0,0,1,0,0|2,1,0]=4 100 B8R1.7 O=C(Cl)C1=CCCC1 SC-61003 [0,0,0,1,0,0|1,0,2]=4 101 B8R1.7 O=C(Cl)C1CCOC1 SC-45575 [0,0,0,1,0,0|2,0,0]=3 102 B8R1.7 O=C(O)[C@H]1CCOC1 SC-25181 [0,0,0,1,0,0|2,0,0]=3 103 B8R1.7 OC(=S)[C@H]1CCCO1 SC-28168 [0,0,0,1,0,0|2,0,1]=4 104 B8R1.7 [C@@H]1(C(N)=O)CCCN1 SC-09818 [0,0,0,1,0,0|2,0,0]=3 105 B8R1.22 CC1OCCCCO1 SC-26173 [0,0,0,1,0,0|1,0,2]=4 106 B8R1.22 NC1CCCCNC1 SC-49484 [0,0,0,1,0,0|2,0,1]=4 107 B8R1.22 O=C1C=CCCCN1 SC-50475 [0,0,0,1,0,0|1,0,2]=4 108 B8R1.22 S=C1NCCCCN1 SC-67011 [0,0,0,1,0,0|2,1,0]=4 109 B8R1.34 CC(=O)NC1CNC1 SC-48410 [0,0,0,1,0,0|2,0,0]=3 110 B8R1.34 O=C(O)C=C1CCC1 SC-67620 [0,0,0,1,0,0|1,0,2]=4 111 B8R1.35 CC(=O)OCC1CO1 SC-74435 [0,0,0,1,0,0|2,0,0]=3 112 B8R1.35 O=C(O)\C=C\C1CC1 SC-39438 [0,0,0,1,0,0|1,0,2]=4 113 B8R1.36 CCCNCC1CC1 SC-17784 [0,0,0,1,0,0|2,0,1]=4 114 B8R1.72 CC1(N)CCCCC1 SC-37824 [0,0,0,1,0,0|1,0,1]=3 115 B8R1.72 CC1(O)CCOCC1 SC-21971 [0,0,0,1,0,0|1,0,2]=4 116 B8R1.72 Cl[Si]1(Cl)CCCCC1 SC-36720 [0,0,0,1,0,0|2,1,0]=4 117 B5R0.1 C=C(C)CCI SC-35692 [2,0,0,0,0,0|2,0,0]=4 118 B5R0.1 CC(=O)NCO SC-19774 [2,0,0,0,0,0|2,0,0]=4 119 B5R0.1 CNCC(=O)[O-] SC-18610 [2,0,0,0,0,0|2,0,0]=4 120 B5R0.1 COCC(=O)O SC-22928 [2,0,0,0,0,0|2,0,0]=4 121 B5R0.1 COCC(C)=O SC-81373 [2,0,0,0,0,0|1,0,0]=3 122 B5R0.1 COCC(C)=S SC-42217 [2,0,0,0,0,0|1,1,0]=4 123 B5R0.1 CSCC(N)=O SC-27108 [2,0,0,0,0,0|2,0,0]=4 124 B5R0.1 O=C(O)CCF SC-53145 [2,0,0,0,0,0|2,0,0]=4 125 B5R0.2 BrCCCCBr SC-00339 [2,0,0,0,0,0|2,0,0]=4 126 B5R0.2 C=COCCC SC-13613 [2,0,0,0,0,0|1,0,1]=4 127 B5R0.2 CCCCNN SC-40662 [2,0,0,0,0,0|2,0,0]=4 128 B5R0.2 CCCCNN SC-41028 [2,0,0,0,0,0|2,0,0]=4 129 B5R0.2 CCCNCC SC-02236 [2,0,0,0,0,0|1,0,0]=3 130 B5R0.2 CCNCCN SC-50818 [2,0,0,0,0,0|2,0,0]=4 131 B5R0.2 CCOCCN SC-47824 [2,0,0,0,0,0|2,0,0]=4 132 B5R0.2 CCSCCBr SC-16797 [2,0,0,0,0,0|2,0,0]=4 133 B5R0.2 CCSCCN SC-65401 [2,0,0,0,0,0|2,0,0]=4 134 B5R0.2 COCCCO SC-01427 [2,0,0,0,0,0|1,0,1]=4 135 B5R0.2 CSCCCO SC-54096 [2,0,0,0,0,0|1,0,1]=4 136 B5R0.2 C\C=C/OCC SC-15783 [2,0,0,0,0,0|1,0,1]=4 137 B5R0.2 NCCCCBr SC-39791 [2,0,0,0,0,0|2,0,0]=4 138 B5R0.2 NCCCCF SC-25718 [2,0,0,0,0,0|2,0,0]=4 139 B5R0.2 OCCCCCl SC-17604 [2,0,0,0,0,0|1,0,1]=4 140 B7R0.2 CC(=O)OC(Br)CBr SC-14499 [1,1,0,0,0,0|2,0,0]=4 141 B7R0.2 CCC(=O)OC(C)=O SC-96821 [1,1,0,0,0,0|1,0,1]=4 142 B7R0.2 CCC(O)CC(C)O SC-95923 [1,1,0,0,0,0|0,0,2]=4 143 B7R0.2 COC(=O)CC(C)=O SC-65271 [1,1,0,0,0,0|1,0,1]=4 144 B7R0.3 CCCCC(=O)NN SC-59745 [1,1,0,0,0,0|1,0,0]=3 145 B7R0.3 CCOCC(=O)NN SC-59718 [1,1,0,0,0,0|2,0,0]=4 146 B7R0.3 CCSCS(=O)CC SC-51200 [1,1,0,0,0,0|2,0,0]=4 147 B7R0.3 CC\C=C\C(=O)OC SC-62851 [1,1,0,0,0,0|0,0,2]=4 148 B7R0.3 COC(=O)CCC#N SC-20469 [1,1,0,0,0,0|1,0,1]=4 149 B7R0.3 COC(=O)CCCBr SC-46963 [1,1,0,0,0,0|1,0,0]=3 150 B7R0.5 CCC[C@@H](C)C(=O)O SC-43566 [1,1,0,0,0,0|1,0,0]=3 151 B7R0.5 CCC[C@H](C)C(=O)O SC-67603 [1,1,0,0,0,0|1,0,0]=3 152 B7R0.5 CCC[C@H](O)C(=O)O SC-21948 [1,1,0,0,0,0|1,0,0]=3 153 B7R0.5 COCC(N)C(=O)O SC-43930 [1,1,0,0,0,0|2,0,0]=4 154 B7R0.5 NCCC(O)C(=O)O SC-16245 [1,1,0,0,0,0|2,0,0]=4 155 B7R0.6 CC(=O)CCN(C)C SC-53808 [1,1,0,0,0,0|1,0,0]=3 156 B7R0.6 CC(C)CCC(C)O SC-53086 [1,1,0,0,0,0|0,0,2]=4 157 B7R0.6 CN(C)CCC(=O)O SC-84792 [1,1,0,0,0,0|2,0,0]=4 158 B7R0.8 CP(=O)(O)CCCN SC-51052 [1,1,0,0,0,0|2,0,0]=4 159 B7R0.1 CCCCCCCBr SC-05921 [1,1,0,0,0,0|0,0,1]=3 160 B7R0.1 CCCCSCCN SC-38559 [1,1,0,0,0,0|1,0,1]=4 161 B7R0.1 CCCSSCCC SC-88855 [1,1,0,0,0,0|1,0,1]=4 162 B7R0.1 N#CCCCCCN SC-91222 [1,1,0,0,0,0|1,0,1]=4 163 B7R0.1 NCCCCCCBr SC-40179 [1,1,0,0,0,0|1,0,1]=4 164 B7R0.1 OCCCCCCCl SC-25628 [1,1,0,0,0,0|0,0,2]=4 165 B7R0.1 SCCCCCCS SC-15339 [1,1,0,0,0,0|0,1,1]=4 166 B7R0.7 CCCC(C)CNN SC-42603 [1,1,0,0,0,0|2,0,0]=4 167 B7R0.7 CCCC(O)CCO SC-51686 [1,1,0,0,0,0|0,0,2]=4 168 B7R0.7 CCCN(C)CCC SC-85868 [1,1,0,0,0,0|1,0,1]=4 169 B7R0.7 COCC(C)COC SC-66246 [1,1,0,0,0,0|2,0,0]=4 170 B9R0.4 CCCC[C@@H](C)CC(=O)O SC-52448 [0,2,0,0,0,0|1,0,0]=3 171 B9R0.4 CCCOC(=O)CC(C)=O SC-65215 [0,2,0,0,0,0|0,0,1]=3 172 B9R0.6 CCCC(C)C(N)C(=O)O SC-45629 [0,2,0,0,0,0|1,0,0]=3 173 B9R0.6 CCOC(=O)C(Br)C(C)=O SC-70184 [0,2,0,0,0,0|1,0,1]=4 174 B9R0.14 CCCC(CC(C)C)NN SC-39106 [0,2,0,0,0,0|1,0,1]=4 175 B9R0.34 CCCC(=O)CC(=O)OC SC-27187 [0,2,0,0,0,0|0,0,1]=3 176 B9R0.34 CCOC(=O)CC(=O)CBr SC-52677 [0,2,0,0,0,0|1,0,1]=4 177 B9R0.34 COCC(=O)CC(=O)OC SC-49499 [0,2,0,0,0,0|1,0,1]=4 178 B9R0.58 CCCS(=O)(=O)CC(=O)O SC-38522 [0,2,0,0,0,0|2,0,0]=4 179 B9R0.1 CC(C)CCCC(C)NN SC-38599 [0,2,0,0,0,0|1,0,1]=4 180 B9R0.1 COC(=O)CSCC(C)=O SC-68739 [0,2,0,0,0,0|1,0,1]=4 181 B9R0.5 CCC\C=C\C(=O)OCC SC-49613 [0,2,0,0,0,0|0,0,2]=4 182 B9R0.5 CCOC(=N)CCCCBr SC-59654 [0,2,0,0,0,0|2,0,0]=4 183 B9R0.5 C\C=C\C(=O)OCCCC SC-68337 [0,2,0,0,0,0|1,0,0]=3 184 B9R0.8 COC(=O)[C@H](N)CCCN SC-10414 [0,2,0,0,0,0|1,0,0]=3 185 B9R0.24 O=C(CS)OCC(O)CO SC-18699 [0,2,0,0,0,0|2,0,0]=4 186 B9R0.47 C=CCCC[C@@H](C)C(=O)O SC-31827 [0,2,0,0,0,0|1,0,1]=4 187 B9R0.47 C=CCCC[C@H](C)C(=O)O SC-31058 [0,2,0,0,0,0|1,0,1]=4 188 B9R0.47 CC[Se]CCC(N)C(=O)O SC-69852 [0,2,0,0,0,0|1,0,0]=3 189 B9R0.47 COCCC[C@@H](N)C(=O)O SC-49289 [0,2,0,0,0,0|1,0,0]=3 190 B9R0.47 CSCCC[C@@H](N)C(=O)O SC-49287 [0,2,0,0,0,0|1,0,0]=3 191 B9R0.47 NCCCCC(N)C(=O)O SC-09671 [0,2,0,0,0,0|1,0,0]=3 192 B9R0.47 NCCCCC(N)C(=O)O SC-20502 [0,2,0,0,0,0|1,0,0]=3 193 B9R0.47 NCCCC[C@H](N)C(=O)O SC-22201 [0,2,0,0,0,0|1,0,0]=3 194 B9R0.50 CCCCCC(CO)CO SC-70663 [0,2,0,0,0,0|0,0,2]=4 195 B9R0.2 C=CCCCOCC(=O)O SC-34349 [0,2,0,0,0,0|1,0,1]=4 196 B9R0.2 CC(=O)OCCOCCCl SC-48054 [0,2,0,0,0,0|1,0,0]=3 197 B9R0.2 CCCCCC#CC(C)O SC-21588 [0,2,0,0,0,0|0,0,2]=4 198 B9R0.2 CCCCCCCC(=N)N SC-40677 [0,2,0,0,0,0|2,0,0]=4 199 B9R0.2 CCCCCCCC(=O)[O-] SC-18483 [0,2,0,0,0,0|1,0,0]=3 200 B9R0.2 CCCCCCCC(=O)[O-] SC-26042 [0,2,0,0,0,0|1,0,0]=3 201 B9R0.2 CCCCCCCC(=O)[O-] SC-52189 [0,2,0,0,0,0|1,0,0]=3 202 B9R0.2 CCCCCCCC(=O)[O-] SC-79959 [0,2,0,0,0,0|1,0,0]=3 203 B9R0.2 CCCCOCCC(=N)N SC-42275 [0,2,0,0,0,0|2,0,0]=4 204 B9R0.2 N=C(N)CCCCCCCl SC-38531 [0,2,0,0,0,0|2,0,0]=4 205 B9R0.2 NCCCCCCC(=O)O SC-52825 [0,2,0,0,0,0|1,0,0]=3 206 B9R0.38 CCCCCCP(=O)(O)O SC-22196 [0,2,0,0,0,0|2,0,0]=4 207 B9R0.38 CS(=O)(=O)NCCCCN SC-53077 [0,2,0,0,0,0|2,0,0]=4 208 B9R0.55 CN(C)CCNCC(=O)O SC-48750 [0,2,0,0,0,0|2,0,0]=4 209 B9R0.7 C=C(C)CC[C@H](C)C(=O)O SC-31724 [0,2,0,0,0,0|1,0,1]=4 210 B9R0.7 CC(=O)C(=O)OCC(C)C SC-26296 [0,2,0,0,0,0|1,0,1]=4 211 B9R0.7 CC(C)OC[C@H](N)C(=O)O SC-68757 [0,2,0,0,0,0|2,0,0]=4 212 B9R0.13 C=C[C@@H](CCCC)C(=O)O SC-31049 [0,2,0,0,0,0|1,0,0]=3 213 B9R0.13 C=C[C@H](CCCC)C(=O)O SC-31462 [0,2,0,0,0,0|1,0,0]=3 214 B9R0.13 CCCCC(CC)C(=O)[O-] SC-65231 [0,2,0,0,0,0|1,0,0]=3 215 B9R0.13 CCCCC(CC)C(=O)[O-] SC-79440 [0,2,0,0,0,0|1,0,0]=3 216 B9R0.43 COC(CCC(=O)O)OC SC-33144 [0,2,0,0,0,0|2,0,0]=4 217 B9R0.56 C=C(C)CCC[Si](C)(C)C SC-34201 [0,2,0,0,0,0|1,1,0]=4 218 B9R0.56 CC(=O)OCC[N+](C)(C)C SC-15132 [0,2,0,0,0,0|2,0,0]=4 219 B9R0.56 CC(C)(C)OCCC(=O)O SC-62531 [0,2,0,0,0,0|2,0,0]=4 220 B9R0.56 CC(F)(F)CCCC(=O)O SC-34273 [0,2,0,0,0,0|1,0,0]=3 221 B7R1.2 CC1CCC(=O)N1 SC-89347 [1,0,0,1,0,0|1,0,0]=3 222 B7R1.2 CC1CCC(N)C1 SC-50487 [1,0,0,1,0,0|1,0,1]=4 223 B7R1.2 CC1CNC(=O)N1 SC-65644 [1,0,0,1,0,0|2,0,0]=4 224 B7R1.2 CC1CNC(=O)N1 SC-67475 [1,0,0,1,0,0|2,0,0]=4 225 B7R1.2 CC1CSC(=O)S1 SC-51669 [1,0,0,1,0,0|2,0,0]=4 226 B7R1.2 C[C@@H]1CCC(=O)O1 SC-65777 [1,0,0,1,0,0|1,0,0]=3 227 B7R1.2 C[C@@H]1COC(=O)C1 SC-45465 [1,0,0,1,0,0|1,0,0]=3 228 B7R1.2 C[C@@H]1COC(=O)N1 SC-43641 [1,0,0,1,0,0|2,0,0]=4 229 B7R1.2 C[C@@H]1COC(=O)N1 SC-51055 [1,0,0,1,0,0|2,0,0]=4 230 B7R1.2 C[C@H]1CCC(=O)O1 SC-86851 [1,0,0,1,0,0|1,0,0]=3 231 B7R1.2 NC1CNC(=O)C1 SC-68325 [1,0,0,1,0,0|2,0,0]=4 232 B7R1.2 N[C@H]1CNC(=O)C1 SC-52716 [1,0,0,1,0,0|2,0,0]=4 233 B7R1.2 O=C1CCC(Cl)O1 SC-69818 [1,0,0,1,0,0|2,0,0]=4 234 B7R1.2 O=C1C[C@@H](O)CO1 SC-49425 [1,0,0,1,0,0|2,0,0]=4 235 B7R1.3 C[C@@H]1CCCCN1 SC-66098 [1,0,0,1,0,0|1,0,1]=4 236 B7R1.3 NN1CCCCC1 SC-17998 [1,0,0,1,0,0|2,0,0]=4 237 B7R1.10 O=C1CN(CCl)C1 SC-39185 [1,0,0,1,0,0|2,0,0]=4 238 B7R1.12 CC1CC1C(=O)Cl SC-60998 [1,0,0,1,0,0|1,0,0]=3 239 B7R1.12 CC1CC1C(=O)O SC-71058 [1,0,0,1,0,0|1,0,0]=3 240 B7R1.14 CC1(N)CCCC1 SC-38076 [1,0,0,1,0,0|1,0,1]=4 241 B7R1.14 CC1(O)CCCC1 SC-26720 [1,0,0,1,0,0|0,0,2]=4 242 B7R1.18 N=C(N)C1CCC1 SC-12460 [1,0,0,1,0,0|2,0,0]=4 243 B7R1.18 O=C(O)C1CCN1 SC-53260 [1,0,0,1,0,0|2,0,0]=4 244 B7R1.20 N=C(N)CC1CC1 SC-40484 [1,0,0,1,0,0|2,0,0]=4 245 B7R1.1 CNC1CCOC1 SC-14941 [1,0,0,1,0,0|2,0,0]=4 246 B7R1.1 CN[C@H]1CCNC1 SC-08954 [1,0,0,1,0,0|2,0,0]=4 247 B7R1.1 COC1CCCC1 SC-82890 [1,0,0,1,0,0|1,0,0]=3 248 B7R1.1 CO[C@H]1CCNC1 SC-51991 [1,0,0,1,0,0|2,0,0]=4 249 B7R1.1 ClCC1CCCC1 SC-52756 [1,0,0,1,0,0|1,0,1]=4 250 B7R1.1 ICC1CCCC1 SC-19498 [1,0,0,1,0,0|1,0,1]=4 251 B7R1.1 NCC1CCOC1 SC-35383 [1,0,0,1,0,0|2,0,0]=4 252 B7R1.1 OCC1CCNC1 SC-19805 [1,0,0,1,0,0|2,0,0]=4 253 B7R1.4 CC1CCCC1=S SC-42934 [1,0,0,1,0,0|0,1,0]=3 254 B7R1.4 CC1CCCC1N SC-71052 [1,0,0,1,0,0|1,0,1]=4 255 B7R1.4 CC1OCCC1=O SC-03396 [1,0,0,1,0,0|1,0,0]=3 256 B7R1.4 CC1SCCC1=S SC-42506 [1,0,0,1,0,0|1,1,0]=4 257 B7R1.4 NC1CCNC1=O SC-48795 [1,0,0,1,0,0|2,0,0]=4 258 B7R1.4 NC1CCNC1=O SC-51089 [1,0,0,1,0,0|2,0,0]=4 259 B7R1.4 N[C@H]1CCOC1=O SC-51606 [1,0,0,1,0,0|2,0,0]=4 260 B7R1.4 O=C1NCC[C@@H]1O SC-21960 [1,0,0,1,0,0|2,0,0]=4 261 B7R1.4 O=C1OCC[C@H]1O SC-08904 [1,0,0,1,0,0|2,0,0]=4 262 B7R1.4 S=C1CCCC1Cl SC-42320 [1,0,0,1,0,0|1,1,0]=4 263 B7R1.6 CCNC1CNC1 SC-70012 [1,0,0,1,0,0|2,0,0]=4 264 B7R1.6 COCC1CNC1 SC-89956 [1,0,0,1,0,0|2,0,0]=4 265 B7R1.6 N#CCC1CCC1 SC-39102 [1,0,0,1,0,0|1,0,1]=4 266 B7R1.24 C1CNCCOC1 SC-72124 [1,0,0,1,0,0|2,0,0]=4 267 B9R1.7 CCCC1CCC(=O)O1 SC-52458 [0,1,0,1,0,0|1,0,0]=3 268 B9R1.7 CNCC1CCN(C)C1 SC-52361 [0,1,0,1,0,0|2,0,0]=4 269 B9R1.7 N#CCN1CCC(=O)C1 SC-39285 [0,1,0,1,0,0|1,0,1]=4 270 B9R1.7 NCCN1CCC(=O)C1 SC-39650 [0,1,0,1,0,0|1,0,0]=3 271 B9R1.13 CC(=O)NC1CCNC1 SC-08933 [0,1,0,1,0,0|1,0,0]=3 272 B9R1.13 CC(=O)N[C@@H]1CCNC1 SC-08932 [0,1,0,1,0,0|1,0,0]=3 273 B9R1.13 CC(C)CC1CCCN1 SC-29304 [0,1,0,1,0,0|1,0,1]=4 274 B9R1.13 N=C(N)NC1CCCC1 SC-21656 [0,1,0,1,0,0|2,0,0]=4 275 B9R1.13 N=C(N)NC1CCCC1 SC-60370 [0,1,0,1,0,0|2,0,0]=4 276 B9R1.13 NC(N)=NC1CCCC1 SC-20655 [0,1,0,1,0,0|2,0,0]=4 277 B9R1.13 O=C(O)C=C1CCCC1 SC-36663 [0,1,0,1,0,0|1,0,1]=4 278 B9R1.13 O=C(O)CC1CCCC1 SC-65869 [0,1,0,1,0,0|1,0,0]=3 279 B9R1.13 O=C(O)CC1CCNC1 SC-48282 [0,1,0,1,0,0|1,0,0]=3 280 B9R1.41 CN1CCC[C@@H]1C(=O)O SC-21501 [0,1,0,1,0,0|1,0,0]=3 281 B9R1.41 CN1CCC[C@@H]1C(=O)O SC-28867 [0,1,0,1,0,0|1,0,0]=3 282 B9R1.41 CN1CCC[C@@H]1C(=O)O SC-52270 [0,1,0,1,0,0|1,0,0]=3 283 B9R1.41 CN1CCC[C@H]1C(=O)O SC-23602 [0,1,0,1,0,0|1,0,0]=3 284 B9R1.41 NC1CCCC1C(=O)O SC-29667 [0,1,0,1,0,0|1,0,0]=3 285 B9R1.41 NC1CCNC1C(=O)O SC-49345 [0,1,0,1,0,0|2,0,0]=4 286 B9R1.41 NC1CCSC1C(=O)O SC-29866 [0,1,0,1,0,0|2,0,0]=4 287 B9R1.41 NC1CSCC1C(=O)O SC-30185 [0,1,0,1,0,0|2,0,0]=4 288 B9R1.41 O=C(O)C1CCCC1=O SC-53677 [0,1,0,1,0,0|1,0,1]=4 289 B9R1.1 CCC1CCC(=S)CC1 SC-42360 [0,1,0,1,0,0|0,1,0]=3 290 B9R1.1 COC1CCC(=O)CO1 SC-67569 [0,1,0,1,0,0|1,0,0]=3 291 B9R1.1 O=C1CCC(CCl)CC1 SC-29343 [0,1,0,1,0,0|1,0,0]=3 292 B9R1.1 O=C1CCN(CCl)CC1 SC-39186 [0,1,0,1,0,0|2,0,0]=4 293 B9R1.2 CC1CCCC(NN)C1 SC-39258 [0,1,0,1,0,0|1,0,1]=4 294 B9R1.2 CC1CCCC(NN)C1 SC-58987 [0,1,0,1,0,0|1,0,1]=4 295 B9R1.2 CCC1CNCC(C)N1 SC-29366 [0,1,0,1,0,0|1,0,1]=4 296 B9R1.2 CN1CCCC(CN)C1 SC-42018 [0,1,0,1,0,0|2,0,0]=4 297 B9R1.2 COC1=CC(=O)CCC1 SC-50468 [0,1,0,1,0,0|0,0,2]=4 298 B9R1.2 COC1CCCN(N)C1 SC-29954 [0,1,0,1,0,0|2,0,0]=4 299 B9R1.2 NCC1CCCC(N)C1 SC-66231 [0,1,0,1,0,0|1,0,1]=4 300 B9R1.2 NN1CCCC(CO)C1 SC-30068 [0,1,0,1,0,0|2,0,0]=4 301 B9R1.2 O=C1CCCC(CCl)C1 SC-33730 [0,1,0,1,0,0|0,0,0]=2 302 B9R1.2 O=C1CCCN(CCl)C1 SC-41654 [0,1,0,1,0,0|1,0,0]=3 303 B9R1.3 CC1=C(C)C(=O)CCC1 SC-68706 [0,1,0,1,0,0|0,0,1]=3 304 B9R1.3 CN1CCCC(N)C1=O SC-53874 [0,1,0,1,0,0|2,0,0]=4 305 B9R1.3 O=C1CCCC(=O)C1Br SC-32804 [0,1,0,1,0,0|1,0,1]=4 306 B9R1.3 O=C1CCCC(=O)C1Cl SC-31874 [0,1,0,1,0,0|1,0,1]=4 307 B9R1.5 CN1CCCCCC1=O SC-25345 [0,1,0,1,0,0|0,0,0]=2 308 B9R1.5 NC1CCCCNC1=O SC-23204 [0,1,0,1,0,0|1,0,0]=3 309 B9R1.5 N[C@@H]1CCCCC[C@H]1N SC-32905 [0,1,0,1,0,0|1,0,1]=4 310 B9R1.5 O=C1CCCCCC1Cl SC-52650 [0,1,0,1,0,0|0,0,0]=2 311 B9R1.5 [C@H]1(N)CCCCNC1=O SC-47624 [0,1,0,1,0,0|1,0,0]=3 312 B9R1.11 CC(NN)C1CCCC1 SC-52179 [0,1,0,1,0,0|1,0,1]=4 313 B9R1.11 CCC(=O)C1CCCC1 SC-69831 [0,1,0,1,0,0|0,0,0]=2 314 B9R1.11 COC(=O)C1CCCO1 SC-03960 [0,1,0,1,0,0|1,0,0]=3 315 B9R1.11 N=C(NO)C1CCCC1 SC-56231 [0,1,0,1,0,0|1,0,1]=4 316 B9R1.11 NCC(O)C1CCCC1 SC-34279 [0,1,0,1,0,0|0,0,2]=4 317 B9R1.11 NNC(=O)C1CCCC1 SC-59719 [0,1,0,1,0,0|1,0,0]=3 318 B9R1.11 N\C(=N\O)C1CCCC1 SC-29653 [0,1,0,1,0,0|1,0,1]=4 319 B9R1.21 CCC1CCC(NN)C1 SC-41422 [0,1,0,1,0,0|1,0,1]=4 320 B9R1.79 COC(=O)CC1CCC1 SC-34808 [0,1,0,1,0,0|0,0,0]=2 321 B9R1.79 NCC(=O)NC1CCC1 SC-62678 [0,1,0,1,0,0|1,0,0]=3 322 B9R1.89 CCC1CCCCCN1 SC-25511 [0,1,0,1,0,0|1,0,1]=4 323 B9R1.89 NCC1CCCCCC1 SC-44634 [0,1,0,1,0,0|1,0,1]=4 324 B9R1.89 NNC1CCCCCC1 SC-38703 [0,1,0,1,0,0|1,0,1]=4 325 B9R1.89 NNC1CCCCCC1 SC-59846 [0,1,0,1,0,0|1,0,1]=4 326 B9R1.89 O=CC1CCCCCC1 SC-59538 [0,1,0,1,0,0|0,0,1]=3 327 B9R1.89 OCC1CCCCCC1 SC-12449 [0,1,0,1,0,0|0,0,2]=4 328 B9R1.118 OCC1(O)CCCCC1 SC-67618 [0,1,0,1,0,0|0,0,2]=4 329 B9R1.132 CN1CCC(CO)C1=O SC-68667 [0,1,0,1,0,0|2,0,0]=4 330 B9R1.6 CC(=O)C1CCCCC1 SC-28527 [0,1,0,1,0,0|0,0,0]=2 331 B9R1.6 CC(O)C1CCOCC1 SC-88341 [0,1,0,1,0,0|0,0,2]=4 332 B9R1.6 N=C(N)C1CCCCC1 SC-12461 [0,1,0,1,0,0|2,0,0]=4 333 B9R1.6 N=C(N)N1CCCCC1 SC-65494 [0,1,0,1,0,0|2,0,0]=4 334 B9R1.6 NC(=O)C1CCCCN1 SC-13181 [0,1,0,1,0,0|1,0,0]=3 335 B9R1.6 NC(=S)C1CCNCC1 SC-21220 [0,1,0,1,0,0|1,1,0]=4 336 B9R1.6 O=C(Cl)C1=CCCCC1 SC-61008 [0,1,0,1,0,0|1,0,1]=4 337 B9R1.6 O=C(Cl)N1CCCCC1 SC-51596 [0,1,0,1,0,0|1,0,0]=3 338 B9R1.6 O=C(O)C1=CCCCC1 SC-44267 [0,1,0,1,0,0|1,0,1]=4 339 B9R1.6 O=C(O)C1CC=CCC1 SC-79651 [0,1,0,1,0,0|1,0,1]=4 340 B9R1.6 O=C(O)C1CCCNC1 SC-04844 [0,1,0,1,0,0|1,0,0]=3 341 B9R1.6 O=C(O)C1CNCCN1 SC-03270 [0,1,0,1,0,0|2,0,0]=4 342 B9R1.6 O=C(O)C1CNCCS1 SC-49246 [0,1,0,1,0,0|2,0,0]=4 343 B9R1.6 O=C(O)[C@@H]1CCCNN1 SC-49631 [0,1,0,1,0,0|2,0,0]=4 344 B9R1.6 [C@H]1(C(=O)O)CCCNC1 SC-05572 [0,1,0,1,0,0|1,0,0]=3 345 B9R1.9 N#CCCN1CC(=O)C1 SC-39697 [0,1,0,1,0,0|1,0,1]=4 346 B9R1.9 NCCCN1CC(=O)C1 SC-39287 [0,1,0,1,0,0|1,0,0]=3 347 B9R1.9 O=C1CN(CCCCl)C1 SC-39097 [0,1,0,1,0,0|1,0,0]=3 348 B9R1.84 C=C(C)COC1CNC1 SC-36610 [0,1,0,1,0,0|2,0,0]=4 349 B9R1.84 O=C(O)\C=C\C1CCC1 SC-14219 [0,1,0,1,0,0|1,0,1]=4 350 B9R1.35 CC(=O)N1CC[C@@H](O)C1 SC-53670 [0,1,0,1,0,0|1,0,0]=3 351 B9R1.35 NC(=O)[C@@H]1C[C@@H](O)CN1 SC-88090 [0,1,0,1,0,0|2,0,0]=4 352 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 SC-23776 [0,1,0,1,0,0|2,0,0]=4 353 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 SC-24076 [0,1,0,1,0,0|2,0,0]=4 354 B9R1.35 O=C(O)C1CC(O)CN1 SC-29014 [0,1,0,1,0,0|2,0,0]=4 355 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 SC-52573 [0,1,0,1,0,0|2,0,0]=4 356 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CO1 SC-66730 [0,1,0,1,0,0|2,0,0]=4 357 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 SC-52422 [0,1,0,1,0,0|2,0,0]=4 358 B9R1.69 CC1CCC(O)CC1C SC-49456 [0,1,0,1,0,0|0,0,2]=4 359 B9R1.69 CC1NC(=O)CCC1O SC-50315 [0,1,0,1,0,0|1,0,0]=3 360 B9R1.112 C[C@H](NC1CC1)C(=O)O SC-11115 [0,1,0,1,0,0|2,0,0]=4 361 B9R1.112 N[C@@H](CC1CC1)C(=O)O SC-20866 [0,1,0,1,0,0|1,0,0]=3 362 B9R1.163 CC(=O)C1(O)CCCC1 SC-41840 [0,1,0,1,0,0|0,0,0]=2 363 B9R1.163 CC1(C(=O)O)CCCN1 SC-26124 [0,1,0,1,0,0|2,0,0]=4 364 B9R1.163 CC1(C(=O)O)CCNC1 SC-69239 [0,1,0,1,0,0|2,0,0]=4 365 B9R1.163 C[C@@]1(C(N)=O)CCCN1 SC-88089 [0,1,0,1,0,0|2,0,0]=4 366 B9R1.163 NC1(C(=O)O)CCNC1 SC-49720 [0,1,0,1,0,0|2,0,0]=4 367 B9R1.10 CC1(C)CCC(N)CC1 SC-51105 [0,1,0,1,0,0|1,0,1]=4 368 B9R1.10 C[C@]1(O)CC[C@@H](N)CC1 SC-53394 [0,1,0,1,0,0|0,0,2]=4 369 B9R1.133 COC1CCS(=O)(=O)C1 SC-51998 [0,1,0,1,0,0|2,0,0]=4 370 B9R1.19 CC(C)(N)C1CCCC1 SC-22086 [0,1,0,1,0,0|1,0,1]=4 371 B9R1.19 CC(C)(O)C1CCCC1 SC-22089 [0,1,0,1,0,0|0,0,2]=4 372 B9R1.19 O=S(=O)(Cl)C1CCCC1 SC-52543 [0,1,0,1,0,0|2,0,0]=4 373 B9R1.114 NS(=O)(=O)CC1CCC1 SC-34694 [0,1,0,1,0,0|2,0,0]=4 374 B9R2.20 O=C1NCC2CCC12 SC-49834 [0,0,0,2,0,0|1,0,0]=3 375 B9R2.110 NC12CCC(CC1)C2 SC-30302 [0,0,0,2,0,0|1,0,1]=4 376 B9R2.21 O=C1CCC2CC2C1 SC-68751 [0,0,0,2,0,0|0,0,0]=2 377 B9R2.109 O=C1CCCC2CC12 SC-68708 [0,0,0,2,0,0|0,0,0]=2