0 B6R0.2 CC(C)CC(N)=O F1995-0350 [0,0,0,0,0,0|1,0,0]=1 1 B6R0.2 CC(C)OC(C)C F0001-0159 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.2 CC(N)CN(C)C F8882-5478 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.2 CN(C)CN(C)C F0001-1334 [0,0,0,0,0,0|4,0,0]=4 4 B6R0.2 O=C(Cl)CC(=O)Cl F0001-0606 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.1 CC(C)CC#N F0001-1677 [1,0,0,0,0,0|1,0,1]=3 6 B5R0.1 COCC(C)N F2190-0371 [1,0,0,0,0,0|3,0,0]=4 7 B5R0.1 COCC(N)=S F8881-7845 [1,0,0,0,0,0|2,1,0]=4 8 B7R0.2 CC(C)C[C@H](N)CO F1564-0029 [0,1,0,0,0,0|1,0,1]=3 9 B7R0.2 CC(C)NC(=O)CBr F3310-0886 [0,1,0,0,0,0|2,0,0]=3 10 B7R0.2 CCC(=O)CC(C)=O F8880-5203 [0,1,0,0,0,0|2,0,1]=4 11 B7R0.2 CNC(=O)CC(C)=O F0001-0716 [0,1,0,0,0,0|2,0,1]=4 12 B7R0.2 COC(=O)CC(C)=O F0001-0105 [0,1,0,0,0,0|1,0,1]=3 13 B7R0.2 COC(=O)\C=C(/C)N F0001-0502 [0,1,0,0,0,0|1,0,2]=4 14 B7R0.9 CC(=O)CC(C)(C)O F0001-0366 [0,1,0,0,0,0|1,0,0]=2 15 B7R1.2 O=C1CCC(=O)C1 F0001-1098 [0,0,0,1,0,0|2,0,1]=4 16 B7R1.2 O=C1CNC(=O)C1 F2147-2476 [0,0,0,1,0,0|2,0,1]=4 17 B5R0.5 CC(F)C(=O)O F2147-5479 [0,0,0,0,1,0|1,0,0]=2 18 B5R0.5 O=C(O)C(=O)O F2191-0257 [0,0,0,0,1,0|2,0,1]=4 19 B7R0.6 CC(C)SCC(=O)O F3249-0157 [0,0,0,0,0,1|0,0,0]=1 20 B4R0.1 CC(C)=NO F0001-0388 [2,0,0,0,0,0|1,0,1]=4 21 B4R0.1 CC(C)[Mg]Cl F1905-7163 [2,0,0,0,0,0|2,0,0]=4 22 B4R0.1 O=CC(=O)O F2191-0150 [2,0,0,0,0,0|1,0,1]=4 23 B4R0.2 CCCCCl F0001-0200 [2,0,0,0,0,0|1,0,1]=4 24 B6R0.1 CCCC(=O)NN F3191-0132 [1,1,0,0,0,0|1,0,0]=3 25 B6R0.1 COC(C)CCO F0001-0848 [1,1,0,0,0,0|0,0,1]=3 26 B6R0.3 CC(C)C(N)CO F1564-0026 [1,1,0,0,0,0|0,0,1]=3 27 B6R0.3 N[C@@H](CS)C(=O)O F8880-8973 [1,1,0,0,0,0|1,0,0]=3 28 B6R0.4 C#CCCC(=O)O F1913-1832 [1,1,0,0,0,0|0,0,1]=3 29 B6R0.4 CC(C)NCCN F2187-0287 [1,1,0,0,0,0|1,0,1]=4 30 B6R0.4 CCCCB(O)O F0001-1206 [1,1,0,0,0,0|1,0,1]=4 31 B6R0.4 CN(C)\C=C\C=O F0001-2230 [1,1,0,0,0,0|1,0,1]=4 32 B6R0.4 CSCCC(C)=O F0001-0996 [1,1,0,0,0,0|1,0,0]=3 33 B6R0.4 N#CCCC(=O)O F8884-9159 [1,1,0,0,0,0|0,0,1]=3 34 B6R0.4 NC(=O)NCCO F1019-0075 [1,1,0,0,0,0|2,0,0]=4 35 B8R0.9 COC(=O)CCC(=O)O F1107-0326 [0,1,0,0,0,1|1,0,1]=4 36 B8R0.23 CC(=O)CC(=O)N(C)C F0001-0723 [0,1,0,0,0,1|2,0,0]=4 37 B8R0.23 CC(C)C(N)CC(=O)O F0913-5477 [0,1,0,0,0,1|0,0,0]=2 38 B8R0.23 CC(C)CC(O)C(=O)O F8882-4328 [0,1,0,0,0,1|0,0,0]=2 39 B8R0.37 O=C(O)C(F)(F)C(F)F F0001-1912 [0,2,0,0,0,0|2,0,0]=4 40 B6R1.2 CC1CCNC1 F8887-6193 [1,0,0,1,0,0|1,0,1]=4 41 B6R1.2 O=C1NCCN1 F0001-0353 [1,0,0,1,0,0|2,0,0]=4 42 B6R1.3 CNCC1CC1 F2158-1936 [1,0,0,1,0,0|2,0,0]=4 43 B6R1.5 NC1CC(=O)C1 F2147-8243 [1,0,0,1,0,0|1,0,0]=3 44 B8R1.23 C=C1CC(C(=O)O)C1 F2167-8028 [0,0,0,1,0,1|0,0,2]=4 45 B8R1.23 CC(=O)N1CC(O)C1 F6661-6527 [0,0,0,1,0,1|2,0,0]=4 46 B8R1.23 CC1CC(C(=O)O)C1 F8889-8201 [0,0,0,1,0,1|0,0,0]=2 47 B8R1.51 CC1(C)CCC(=O)N1 F8884-1328 [0,0,0,1,0,1|1,0,0]=3 48 B8R1.1 O=C1CC[C@H](CO)N1 F9995-1839 [0,1,0,1,0,0|2,0,0]=4 49 B8R1.34 O=C(O)CC1CCC1 F8889-2823 [0,1,0,1,0,0|0,0,0]=2