0 B6R0.2 C(C(=O)O)N(C)C D18801 [0,0,0,0,0,0|4,0,0]=4 1 B6R0.2 CC(C)=CC(=O)O D18784 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.2 C\C(N)=C/C(N)=S A18256 [0,0,0,0,0,0|3,1,0]=4 3 B5R0.1 CCCC(=O)O B18853 [1,0,0,0,0,0|2,0,1]=4 4 B5R0.1 CNCC(=O)O S18803 [1,0,0,0,0,0|3,0,0]=4 5 B7R0.2 COC(=O)C[N+](=O)[O-] M18810 [0,1,0,0,0,0|3,0,0]=4 6 B7R0.2 COC(=O)\C=C(\C)N A18843 [0,1,0,0,0,0|2,0,0]=3 7 B7R0.2 NCC(=O)O[AlH3](O)O A1184 [0,1,0,0,0,0|2,0,1]=4 8 B7R0.2 NCC(=O)O[AlH3](O)O A1184 [0,1,0,0,0,0|2,0,1]=4 9 B7R0.9 CC(C)(C)OC(N)=O B14424 [0,1,0,0,0,0|2,0,1]=4 10 B7R1.2 CC1=CC(=O)NN1 M2903 [0,0,0,1,0,0|3,0,0]=4 11 B7R1.2 CC1=CC=C(C)N1 D1487 [0,0,0,1,0,0|3,0,0]=4 12 B7R1.2 CC1=CC=C(C)S1 P14109 [0,0,0,1,0,0|2,1,0]=4 13 B7R1.2 CC1=CNC(C)=N1 D12856 [0,0,0,1,0,0|3,0,0]=4 14 B7R1.2 O=C1C=CC(=O)N1 M17760 [0,0,0,1,0,0|1,0,2]=4 15 B7R1.2 O=C1CCC(=O)C1 C13983 [0,0,0,1,0,0|1,0,0]=2 16 B7R1.2 O=C1CNC(=O)O1 O13300 [0,0,0,1,0,0|1,0,0]=2 17 B7R1.2 O=C1CSC(=O)N1 T0472 [0,0,0,1,0,0|2,0,0]=3 18 B5R0.5 CC(=O)C(C)O A1243 [0,0,0,0,1,0|0,0,2]=3 19 B5R0.5 CC(Br)C(=O)O B18872 [0,0,0,0,1,0|2,0,1]=4 20 B5R0.5 CC(C)C(N)=O I11048 [0,0,0,0,1,0|2,0,1]=4 21 B5R0.5 CC(Cl)C(=O)Cl C18873 [0,0,0,0,1,0|2,0,1]=4 22 B5R0.5 C[C@@H](Cl)C(=O)O C6128 [0,0,0,0,1,0|2,0,1]=4 23 B5R0.5 C[C@@H](N)C(=O)O A6086 [0,0,0,0,1,0|2,0,1]=4 24 B5R0.5 C[C@H](Cl)C(=O)O C4804 [0,0,0,0,1,0|2,0,1]=4 25 B5R0.5 C[C@H](N)C(N)=O A6327 [0,0,0,0,1,0|2,0,1]=4 26 B7R0.6 C(NC(C)=O)C(=O)O A1250 [0,0,0,0,0,1|2,0,0]=3 27 B7R0.6 CC(=O)CNC(C)=O O12675 [0,0,0,0,0,1|1,0,0]=2 28 B7R0.6 NC(=O)N=NC(N)=O A16684 [0,0,0,0,0,1|3,0,0]=4 29 B4R0.1 CC(=O)NO A3293 [2,0,0,0,0,0|1,0,1]=4 30 B6R0.1 CCOC(=O)CN A14488 [1,1,0,0,0,0|0,0,1]=3 31 B6R0.1 CCO\C(C)=N/O H17707 [1,1,0,0,0,0|0,0,2]=4 32 B6R0.1 CNCC(=O)OC M5408 [1,1,0,0,0,0|2,0,0]=4 33 B8R0.9 NCC(=O)CCC(=O)O A4094 [0,1,0,0,0,1|2,0,0]=4 34 B8R0.9 NCC(=O)CCC(=O)O A4094 [0,1,0,0,0,1|2,0,0]=4 35 B8R0.9 NCC(=O)NCC(=O)O G0812 [0,1,0,0,0,1|2,0,0]=4 36 B8R0.23 CC(=O)C(N)CC(=O)O A14659 [0,1,0,0,0,1|2,0,0]=4 37 B8R0.23 CC(=O)O[C@@H](C)C(=O)O A18048 [0,1,0,0,0,1|1,0,0]=3 38 B8R0.24 CC(C)(C)OC(=O)CN G2443 [0,2,0,0,0,0|1,0,1]=4 39 B6R1.2 O=C1C=CCC1 C18886 [1,0,0,1,0,0|1,0,0]=3 40 B6R1.2 O=C1CCSC1 T11319 [1,0,0,1,0,0|2,0,0]=4 41 B6R1.2 O=C1CC[NH2+]N1 P12961 [1,0,0,1,0,0|2,0,0]=4 42 B6R1.2 O=C1NCCO1 O11604 [1,0,0,1,0,0|1,0,1]=4 43 B6R1.11 CC(=O)C1CC1 C0960 [1,0,0,1,0,0|1,0,1]=4 44 B8R1.23 O=C1CC(C(=O)O)C1 O11072 [0,0,0,1,0,1|2,0,0]=4 45 B8R1.4 NC1=CC(=O)CCC1 A11848 [0,1,0,1,0,0|2,0,0]=4 46 B8R1.4 O=C1C=C(Cl)CCC1 C14310 [0,1,0,1,0,0|2,0,0]=4 47 B8R1.18 C=C1CC(=O)OC1=O I0486 [0,1,0,1,0,0|0,0,1]=3 48 B8R1.18 CC1=C(C)OC(=O)O1 D0822 [0,1,0,1,0,0|2,0,0]=4 49 B8R1.18 CN1CC(=O)N=C1N C5652 [0,1,0,1,0,0|2,0,0]=4 50 B8R1.18 NN1CC(=O)NC1=O A4941 [0,1,0,1,0,0|2,0,0]=4 51 B8R1.18 N[C@@H]1CC(=O)OC1=O A18191 [0,1,0,1,0,0|0,0,0]=2 52 B8R1.50 O=C1CCC(=O)N1Br B12482 [0,1,0,1,0,0|1,0,0]=3 53 B8R1.50 O=C1CCC(=O)N1Cl C18802 [0,1,0,1,0,0|1,0,0]=3 54 B8R1.50 O=C1CCC(=O)N1O H0382 [0,1,0,1,0,0|1,0,0]=3