0 B6R0.2 C=C(C)CC(=O)O SC-31698 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.2 CC(=O)CC(C)=O SC-68118 [0,0,0,0,0,0|1,0,0]=1 2 B6R0.2 CC(=O)C[N+](=O)[O-] SC-67566 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.2 CC(=O)NC(N)=O SC-87858 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.2 CC(=O)[CH-]C(C)=O SC-19438 [0,0,0,0,0,0|1,0,0]=1 5 B6R0.2 CC(O)CC(=O)[O-] SC-85388 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.2 CN(C)CC(=O)O SC-09555 [0,0,0,0,0,0|4,0,0]=4 7 B6R0.2 CN(C)CC(=O)O SC-51828 [0,0,0,0,0,0|4,0,0]=4 8 B6R0.2 NC(=O)CC(N)=O SC-47182 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.2 O=C(O)CC(=O)O SC-77641 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.2 [C@@H](C)(N)CC(=O)O SC-26546 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.1 CC(=O)NCO SC-19774 [1,0,0,0,0,0|1,0,2]=4 12 B5R0.1 CC(=O)\C=N\O SC-51367 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.1 CNCC(=O)[O-] SC-18610 [1,0,0,0,0,0|3,0,0]=4 14 B5R0.1 COCC(=O)O SC-22928 [1,0,0,0,0,0|3,0,0]=4 15 B5R0.1 COCC(C)=O SC-81373 [1,0,0,0,0,0|2,0,0]=3 16 B5R0.1 COCC(C)=S SC-42217 [1,0,0,0,0,0|2,1,0]=4 17 B5R0.1 CSCC(N)=O SC-27108 [1,0,0,0,0,0|3,0,0]=4 18 B5R0.1 C\C=C\C(=O)Cl SC-24539 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.1 C\C=C\[N+](=O)[O-] SC-65946 [1,0,0,0,0,0|3,0,0]=4 20 B7R0.2 CC(=O)OC(Br)CBr SC-14499 [0,1,0,0,0,0|1,0,1]=3 21 B7R0.2 CCC(=O)OC(C)=O SC-96821 [0,1,0,0,0,0|0,0,0]=1 22 B7R0.2 COC(=O)C=C(C)C SC-26810 [0,1,0,0,0,0|2,0,0]=3 23 B7R0.2 COC(=O)CC(C)=O SC-65271 [0,1,0,0,0,0|1,0,0]=2 24 B7R0.2 COC(=O)C[C@@H](C)O SC-08902 [0,1,0,0,0,0|1,0,2]=4 25 B7R0.2 N=C(N)NC(=O)CCl SC-60350 [0,1,0,0,0,0|3,0,0]=4 26 B7R0.9 CC(=O)OS(C)(=O)=O SC-21982 [0,1,0,0,0,0|1,0,0]=2 27 B7R1.2 CC1=CN=C(C)S1 SC-17152 [0,0,0,1,0,0|2,1,0]=4 28 B7R1.2 CC1=NN=C(O)O1 SC-84443 [0,0,0,1,0,0|2,0,1]=4 29 B7R1.2 CC1CCC(=O)N1 SC-89347 [0,0,0,1,0,0|2,0,1]=4 30 B7R1.2 C[C@@H]1CCC(=O)O1 SC-65777 [0,0,0,1,0,0|1,0,1]=3 31 B7R1.2 C[C@H]1CCC(=O)O1 SC-86851 [0,0,0,1,0,0|1,0,1]=3 32 B7R1.2 O=C1CCC(Cl)O1 SC-69818 [0,0,0,1,0,0|1,0,1]=3 33 B7R1.2 O=C1CNC(=O)N1 SC-46970 [0,0,0,1,0,0|2,0,0]=3 34 B7R1.2 O=C1CSC(=S)N1 SC-46616 [0,0,0,1,0,0|2,1,0]=4 35 B7R1.2 O=C1OCC(F)O1 SC-19199 [0,0,0,1,0,0|2,0,1]=4 36 B5R0.5 C=C(C)[N+](=O)[O-] SC-66208 [0,0,0,0,1,0|3,0,0]=4 37 B5R0.5 CC(=O)C(=O)[O-] SC-25992 [0,0,0,0,1,0|1,0,0]=2 38 B5R0.5 CC(=O)C(=O)[O-] SC-26010 [0,0,0,0,1,0|1,0,0]=2 39 B5R0.5 CC(=O)C(C)Br SC-44476 [0,0,0,0,1,0|1,0,1]=3 40 B5R0.5 CC(=S)C(C)S SC-42614 [0,0,0,0,1,0|0,2,1]=4 41 B5R0.5 CC(Cl)C(N)=O SC-50401 [0,0,0,0,1,0|2,0,1]=4 42 B5R0.5 CC(O)C(=O)O SC-15841 [0,0,0,0,1,0|1,0,2]=4 43 B5R0.5 CC(O)C(=O)O SC-18578 [0,0,0,0,1,0|1,0,2]=4 44 B5R0.5 CC(O)C(=O)[O-] SC-15837 [0,0,0,0,1,0|1,0,2]=4 45 B5R0.5 CC(O)C(=O)[O-] SC-18033 [0,0,0,0,1,0|1,0,2]=4 46 B5R0.5 CC(O)C(=O)[O-] SC-46260 [0,0,0,0,1,0|1,0,2]=4 47 B5R0.5 O=C(O)C(=O)O SC-52693 [0,0,0,0,1,0|2,0,0]=3 48 B5R0.5 O=C(O)C(=O)O SC-96241 [0,0,0,0,1,0|2,0,0]=3 49 B5R0.5 O=C([O-])C(=O)[O-] SC-18446 [0,0,0,0,1,0|2,0,0]=3 50 B5R0.5 [C@@H](C)(N)C(N)=O SC-22084 [0,0,0,0,1,0|2,0,1]=4 51 B7R0.6 CC(=O)CCN(C)C SC-53808 [0,0,0,0,0,1|3,0,0]=4 52 B7R0.6 CC(=O)OCC(=O)Cl SC-17748 [0,0,0,0,0,1|1,0,0]=2 53 B7R0.6 CC(=O)OCC(=O)O SC-65254 [0,0,0,0,0,1|1,0,0]=2 54 B7R0.6 O=C(O)\C=C\C(=O)O SC-30089 [0,0,0,0,0,1|3,0,0]=4 55 B7R0.6 O=C([O-])CCC(=O)[O-] SC-50216 [0,0,0,0,0,1|3,0,0]=4 56 B7R0.6 O=C([O-])\C=C\C(=O)[O-] SC-80109 [0,0,0,0,0,1|3,0,0]=4 57 B4R0.1 C=C(N)OC SC-01201 [2,0,0,0,0,0|1,0,1]=4 58 B4R0.1 C=CC(=O)Cl SC-18188 [2,0,0,0,0,0|1,0,1]=4 59 B4R0.1 C=CC(=O)[O-] SC-80823 [2,0,0,0,0,0|1,0,1]=4 60 B4R0.1 CC(=O)NN SC-16358 [2,0,0,0,0,0|2,0,0]=4 61 B4R0.1 COC(=N)N SC-46936 [2,0,0,0,0,0|2,0,0]=4 62 B4R0.1 COC(=N)N SC-65775 [2,0,0,0,0,0|2,0,0]=4 63 B4R0.1 COC(=O)[O-] SC-65186 [2,0,0,0,0,0|1,0,0]=3 64 B4R0.1 COC(N)=O SC-46315 [2,0,0,0,0,0|1,0,0]=3 65 B4R0.1 COC(N)=[NH2+] SC-15893 [2,0,0,0,0,0|2,0,0]=4 66 B4R0.2 CCOC=N SC-52423 [2,0,0,0,0,0|1,0,1]=4 67 B4R0.2 O=[Er]O[Er]=O SC-54378 [2,0,0,0,0,0|2,0,0]=4 68 B6R0.1 C=CC(=O)OCC SC-19398 [1,1,0,0,0,0|0,0,2]=4 69 B6R0.4 C=CCNC(C)=O SC-48071 [1,1,0,0,0,0|1,0,1]=4 70 B6R0.4 CC(=O)NCCCl SC-49821 [1,1,0,0,0,0|1,0,1]=4 71 B6R0.4 CC(=O)OCCO SC-95931 [1,1,0,0,0,0|0,0,1]=3 72 B6R0.4 CC(C)=NNC=O SC-26098 [1,1,0,0,0,0|2,0,0]=4 73 B6R0.4 CCCOC(=O)Cl SC-19101 [1,1,0,0,0,0|1,0,1]=4 74 B6R0.4 O=C(Cl)OCCF SC-53156 [1,1,0,0,0,0|1,0,1]=4 75 B8R0.9 COC(=O)CCC(N)=O SC-88449 [0,1,0,0,0,1|2,0,0]=4 76 B8R0.9 COC(=O)CNC(C)=O SC-66088 [0,1,0,0,0,1|1,0,0]=3 77 B8R0.9 NCC(=O)CCC(=O)O SC-52394 [0,1,0,0,0,1|2,0,0]=4 78 B8R0.9 NCC(=O)NCC(=O)O SC-17448 [0,1,0,0,0,1|2,0,0]=4 79 B8R0.23 CC(=O)N[C@@H](C)C(=O)O SC-09273 [0,1,0,0,0,1|2,0,0]=4 80 B8R0.23 CC(=O)O[C@@H](C)C(N)=S SC-53477 [0,1,0,0,0,1|1,1,0]=4 81 B8R0.23 [C@@H](C)(OC(C)=O)C(=O)O SC-08840 [0,1,0,0,0,1|1,0,0]=3 82 B8R0.2 COC(=O)C(Cl)C(C)=O SC-49511 [0,2,0,0,0,0|1,0,0]=3 83 B8R0.5 CCOC(=O)CC(C)=O SC-18922 [0,2,0,0,0,0|1,0,0]=3 84 B8R0.5 CCOC(=O)OC(C)Cl SC-25939 [0,2,0,0,0,0|1,0,1]=4 85 B8R0.19 CN\C(C)=C/C(=O)OC SC-50211 [0,2,0,0,0,0|2,0,0]=4 86 B8R0.19 COC(=O)OC(=O)OC SC-73412 [0,2,0,0,0,0|0,0,0]=2 87 B8R0.34 C#CC(C)(C)OC(C)=O SC-31419 [0,2,0,0,0,0|1,0,1]=4 88 B8R0.34 CCC(C)(C)OC(C)=O SC-87598 [0,2,0,0,0,0|1,0,1]=4 89 B6R1.2 O=C1CCON1 SC-95997 [1,0,0,1,0,0|2,0,0]=4 90 B6R1.2 O=C1CCSC1 SC-00014 [1,0,0,1,0,0|2,0,0]=4 91 B6R1.2 O=C1OCCO1 SC-46725 [1,0,0,1,0,0|1,0,1]=4 92 B6R1.2 S=C1C=CCC1 SC-42975 [1,0,0,1,0,0|1,1,0]=4 93 B6R1.11 CC(=O)C1CO1 SC-70647 [1,0,0,1,0,0|2,0,0]=4 94 B8R1.23 CC(=O)N1CC(=O)C1 SC-49225 [0,0,0,1,0,1|1,0,0]=3 95 B8R1.23 O=C1CC(C(=O)O)N1 SC-51258 [0,0,0,1,0,1|2,0,0]=4 96 B8R1.23 [C@@H]1(C(=O)O)CC(=O)N1 SC-15020 [0,0,0,1,0,1|2,0,0]=4 97 B8R1.35 CC(=O)OCC1CO1 SC-74435 [0,0,0,1,0,1|0,0,2]=4 98 B8R1.1 CC1=CC=C(C=O)O1 SC-05807 [0,1,0,1,0,0|1,0,1]=4 99 B8R1.1 CC1=CC=C(CN)O1 SC-84276 [0,1,0,1,0,0|2,0,0]=4 100 B8R1.1 CC1=NC=C(CCl)O1 SC-67662 [0,1,0,1,0,0|2,0,0]=4 101 B8R1.1 COC1=CC(=O)CC1 SC-21379 [0,1,0,1,0,0|1,0,1]=4 102 B8R1.1 O=C1CC=C(CO)O1 SC-52407 [0,1,0,1,0,0|1,0,0]=3 103 B8R1.4 O=C1CCNC(=O)N1 SC-76644 [0,1,0,1,0,0|1,0,0]=3 104 B8R1.18 C=C1CC(=O)OC1=O SC-18784 [0,1,0,1,0,0|0,0,1]=3 105 B8R1.18 CN1CC(=O)N=C1N SC-16445 [0,1,0,1,0,0|2,0,0]=4 106 B8R1.18 NN1CC(=O)NC1=O SC-48553 [0,1,0,1,0,0|2,0,0]=4 107 B8R1.50 CC1=C(O)CCC1=O SC-66441 [0,1,0,1,0,0|1,0,1]=4 108 B8R1.50 O=C1CCC(=O)C1Cl SC-47843 [0,1,0,1,0,0|1,0,0]=3 109 B8R0.28 C=C(C)\C=C\OC(C)=O SC-31173 [0,0,0,0,0,2|1,0,0]=3 110 B8R0.28 CC(=O)C\C=C\C(=O)O SC-70039 [0,0,0,0,0,2|2,0,0]=4