0 B4R0.1 CC(=O)NN AC-24092 [0,0,0,0,0,0|1,0,1]=2 1 B4R0.1 CC(=O)NO AC-13161 [0,0,0,0,0,0|2,0,0]=2 2 B4R0.1 CNC(N)=S AC-31942 [0,0,0,0,0,0|3,1,0]=4 3 B4R0.1 C[C@H](N)CN AC-75237 [0,0,0,0,0,0|1,0,3]=4 4 B4R0.1 C[C@H](N)CO AC-14576 [0,0,0,0,0,0|2,0,2]=4 5 B4R0.1 NC(=O)CBr AC-13350 [0,0,0,0,0,0|2,0,1]=3 6 B4R0.1 NCC(N)=O AC-16143 [0,0,0,0,0,0|1,0,2]=3 7 B4R0.1 NCC(N)=O AC-65789 [0,0,0,0,0,0|1,0,2]=3 8 B4R0.1 O=C(O)CO AC-77042 [0,0,0,0,0,0|2,0,1]=3 9 B3R0.1 N#CCN AC-22471 [1,0,0,0,0,0|1,0,1]=3 10 B5R0.1 N#CCC(N)=O AC-76913 [0,1,0,0,0,0|1,0,0]=2 11 B5R0.4 CC(C)(N)C#N AC-76966 [0,1,0,0,0,0|1,0,1]=3 12 B5R0.4 CNS(C)(=O)=O AC-60010 [0,1,0,0,0,0|3,0,0]=4 13 B5R0.5 CC(S)C(=O)O AC-65008 [0,1,0,0,0,0|2,0,1]=4 14 B5R0.5 C[C@@H](N)C(N)=O AC-77271 [0,1,0,0,0,0|1,0,2]=4 15 B5R0.5 C[C@H](N)C(=O)O AC-77155 [0,1,0,0,0,0|1,0,2]=4 16 B5R0.5 C[C@H](N)C(N)=O AC-11061 [0,1,0,0,0,0|1,0,2]=4 17 B5R0.5 O=C(O)C(F)F AC-18400 [0,1,0,0,0,0|2,0,1]=4 18 B5R1.2 O=C1CSC1 AC-80488 [0,0,0,1,0,0|1,0,1]=3 19 B5R1.3 N#CC1CC1 AC-10485 [0,0,0,1,0,0|1,0,1]=3 20 B4R0.2 CNCC#N AC-61557 [1,1,0,0,0,0|0,0,1]=3 21 B6R0.1 CCCC(=O)NN AC-19259 [0,2,0,0,0,0|1,0,1]=4 22 B6R0.1 CCOC(=O)CN AC-65788 [0,2,0,0,0,0|0,0,2]=4 23 B6R0.1 CCOC(=O)CO AC-76790 [0,2,0,0,0,0|1,0,1]=4 24 B6R0.1 CCOC(=O)NN AC-12613 [0,2,0,0,0,0|1,0,1]=4 25 B6R0.1 CNC(=O)CC#N AC-41874 [0,2,0,0,0,0|0,0,0]=2 26 B6R0.1 COC(=O)CCS AC-74164 [0,2,0,0,0,0|1,0,1]=4 27 B6R0.1 COCC(=O)NN AC-48684 [0,2,0,0,0,0|1,0,1]=4 28 B6R0.1 N#CC[C@H](O)CCl AC-11571 [0,2,0,0,0,0|0,0,2]=4 29 B6R0.3 CN(C)C(=O)CN AC-80965 [0,2,0,0,0,0|0,0,2]=4 30 B6R0.3 COC(=O)C(C)N AC-10325 [0,2,0,0,0,0|0,0,2]=4 31 B6R0.3 COC(=O)[C@H](C)O AC-16717 [0,2,0,0,0,0|1,0,1]=4 32 B6R0.3 O=C(O)C(=O)CBr AC-66963 [0,2,0,0,0,0|1,0,1]=4 33 B6R0.4 CC(=O)CCCBr AC-77239 [0,2,0,0,0,0|1,0,1]=4 34 B6R0.4 CC(=O)CCCCl AC-35279 [0,2,0,0,0,0|1,0,1]=4 35 B6R0.4 CNCCC(C)=O AC-83135 [0,2,0,0,0,0|0,0,2]=4 36 B6R0.4 N#CCCC(=O)O AC-79263 [0,2,0,0,0,0|1,0,0]=3 37 B6R1.2 O=C1CC=CC1 AC-37498 [0,1,0,1,0,0|1,0,1]=4 38 B6R1.2 O=C1CCNC1 AC-22267 [0,1,0,1,0,0|0,0,2]=4 39 B6R1.2 O=C1CCOC1 AC-39237 [0,1,0,1,0,0|1,0,1]=4 40 B6R1.2 O=C1CNCN1 AC-81166 [0,1,0,1,0,0|0,0,2]=4 41 B6R1.2 O=C1NCCN1 AC-81031 [0,1,0,1,0,0|2,0,0]=4 42 B6R1.2 O=C1NCCS1 AC-76781 [0,1,0,1,0,0|2,0,0]=4 43 B6R1.2 O=C1OCCO1 AC-76852 [0,1,0,1,0,0|2,0,0]=4