0 B3R0.1 CNOC AC-5594 [0,0,0,0,0,0|3,0,0]=3 1 B3R0.1 NCCCl AC-22675 [0,0,0,0,0,0|2,0,0]=2 2 B3R0.1 NCCN AC-18109 [0,0,0,0,0,0|2,0,0]=2 3 B3R0.1 NCCS AC-301 [0,0,0,0,0,0|1,1,0]=2 4 B2R0.1 C=C[CH2-] AC-5513 [1,0,0,0,0,0|0,0,3]=4 5 B2R0.1 CC#N AC-4985 [1,0,0,0,0,0|1,0,1]=3 6 B2R0.1 CON AC-5593 [1,0,0,0,0,0|2,0,0]=3 7 B2R0.1 Cl[Pd]Cl AC-18128 [1,0,0,0,0,0|3,0,0]=4 8 B2R0.1 Cl[Pt]Cl AC-18115 [1,0,0,0,0,0|3,0,0]=4 9 B2R0.1 Cl[Pt]Cl AC-24209 [1,0,0,0,0,0|3,0,0]=4 10 B4R0.1 CC(N)CN AC-22047 [0,1,0,0,0,0|1,0,0]=2 11 B4R0.1 CC(N)CO AC-24046 [0,1,0,0,0,0|0,0,0]=1 12 B4R0.1 CCC(=N)N AC-6582 [0,1,0,0,0,0|1,0,1]=3 13 B4R0.1 CSC(=N)N AC-16449 [0,1,0,0,0,0|2,0,1]=4 14 B4R0.1 C[C@@H](N)CO AC-24153 [0,1,0,0,0,0|0,0,0]=1 15 B4R0.1 C[C@@H](O)CN AC-7043 [0,1,0,0,0,0|1,0,0]=2 16 B4R0.1 C[C@@H](O)CO AC-14032 [0,1,0,0,0,0|0,0,0]=1 17 B4R0.1 C[C@H](N)CO AC-1565 [0,1,0,0,0,0|0,0,0]=1 18 B4R0.1 C[C@H](N)CO AC-24154 [0,1,0,0,0,0|0,0,0]=1 19 B4R0.1 C[C@H](O)CO AC-14033 [0,1,0,0,0,0|0,0,0]=1 20 B4R0.1 NC(=O)NO AC-22674 [0,1,0,0,0,0|2,0,1]=4 21 B4R0.1 NCC(N)=O AC-7069 [0,1,0,0,0,0|1,0,2]=4 22 B4R0.2 CCSCC AC-18108 [0,1,0,0,0,0|1,0,0]=2 23 B4R0.2 CC[Zn]CC AC-1790 [0,1,0,0,0,0|1,0,0]=2 24 B4R0.2 CNCC#N AC-4442 [0,1,0,0,0,0|1,0,1]=3 25 B4R0.2 NCCCBr AC-150 [0,1,0,0,0,0|1,0,0]=2 26 B4R0.2 NCCCCl AC-8352 [0,1,0,0,0,0|1,0,0]=2 27 B4R1.1 C1CNC1 AC-1060 [0,0,0,1,0,0|1,0,0]=2 28 B1R0.1 C=C AC-5519 [2,0,0,0,0,0|0,0,2]=4 29 B3R0.2 CC(=N)N AC-22530 [1,1,0,0,0,0|1,0,1]=4 30 B3R0.2 CC(=O)O AC-19080 [1,1,0,0,0,0|0,0,1]=3 31 B3R0.2 CC(=O)[O-] AC-18132 [1,1,0,0,0,0|0,0,2]=4 32 B3R0.2 CC(=O)[O-] AC-677 [1,1,0,0,0,0|0,0,2]=4 33 B3R0.2 CS(=O)[O-] AC-1087 [1,1,0,0,0,0|1,0,1]=4 34 B5R0.1 C#CCC(=O)O AC-30551 [0,2,0,0,0,0|0,0,2]=4 35 B5R0.1 C(Cl)CC(=O)O AC-16131 [0,2,0,0,0,0|0,0,1]=3 36 B5R0.1 CCCC(N)=[NH2+] AC-3370 [0,2,0,0,0,0|1,0,0]=3 37 B5R0.1 COCC(=N)N AC-29357 [0,2,0,0,0,0|1,0,1]=4 38 B5R0.1 COC[C@@H](C)N AC-28410 [0,2,0,0,0,0|0,0,0]=2 39 B5R0.1 C[C@@H](O)CCO AC-5640 [0,2,0,0,0,0|0,0,0]=2 40 B5R0.1 O=C(O)CCS AC-4722 [0,2,0,0,0,0|0,0,1]=3 41 B5R0.3 C=C[C@@H](N)CO AC-30956 [0,2,0,0,0,0|0,0,1]=3 42 B5R0.3 COC(=O)CF AC-590 [0,2,0,0,0,0|1,0,1]=4 43 B5R0.3 COC(=O)CN AC-19215 [0,2,0,0,0,0|1,0,1]=4 44 B5R0.3 NC(CO)CO AC-13723 [0,2,0,0,0,0|0,0,0]=2 45 B5R0.3 NCC(O)CN AC-3376 [0,2,0,0,0,0|1,0,0]=3 46 B5R0.3 NCC(O)CO AC-23129 [0,2,0,0,0,0|0,0,0]=2 47 B5R0.3 NC[C@@H](O)CO AC-7033 [0,2,0,0,0,0|0,0,0]=2 48 B5R0.3 NC[C@H](O)CCl AC-26415 [0,2,0,0,0,0|1,0,0]=3 49 B5R0.3 NC[C@H](O)CO AC-13922 [0,2,0,0,0,0|0,0,0]=2 50 B5R0.3 NC[C@H](O)CO AC-7162 [0,2,0,0,0,0|0,0,0]=2 51 B5R0.3 OC[C@@H](O)CCl AC-7038 [0,2,0,0,0,0|0,0,0]=2 52 B5R0.3 OC[C@H](O)CCl AC-7037 [0,2,0,0,0,0|0,0,0]=2 53 B5R0.4 CC(C)(C)CN AC-26539 [0,2,0,0,0,0|1,0,0]=3 54 B5R0.4 CC(C)(O)CN AC-25613 [0,2,0,0,0,0|1,0,0]=3 55 B5R0.4 CC[PH](N)(=O)=O AC-8947 [0,2,0,0,0,0|1,0,1]=4 56 B5R0.4 NCC(F)(F)F AC-6209 [0,2,0,0,0,0|2,0,0]=4 57 B5R0.4 NCS(=O)(=O)O AC-9853 [0,2,0,0,0,0|2,0,0]=4 58 B5R0.5 CC(Br)C(=O)O AC-190 [0,2,0,0,0,0|0,0,1]=3 59 B5R0.5 C[C@@H](O)[C@@H](C)O AC-26496 [0,2,0,0,0,0|0,0,0]=2 60 B5R0.5 C[C@H](Br)C(=O)O AC-28136 [0,2,0,0,0,0|0,0,1]=3 61 B5R0.5 C[C@H](N)C(=O)O AC-014 [0,2,0,0,0,0|0,0,1]=3 62 B5R0.5 C[C@H](N)C(=O)O AC-24031 [0,2,0,0,0,0|0,0,1]=3 63 B5R0.5 C[C@H](N)C(N)=O AC-24033 [0,2,0,0,0,0|0,0,2]=4 64 B5R0.5 C[C@H](O)C(=O)[O-] AC-14439 [0,2,0,0,0,0|0,0,2]=4 65 B5R0.5 C[C@H](O)[C@H](C)O AC-26495 [0,2,0,0,0,0|0,0,0]=2 66 B5R0.2 NCCCCN AC-4426 [0,2,0,0,0,0|1,0,0]=3 67 B5R0.2 NCCCCO AC-034 [0,2,0,0,0,0|0,0,0]=2 68 B5R1.2 ClC1CCC1 AC-10054 [0,1,0,1,0,0|1,0,0]=3 69 B5R1.2 FC1CNC1 AC-25612 [0,1,0,1,0,0|1,0,0]=3 70 B5R1.2 NC1CNC1 AC-24374 [0,1,0,1,0,0|1,0,0]=3 71 B5R1.2 O=C1CSC1 AC-33700 [0,1,0,1,0,0|0,0,2]=4 72 B5R1.2 OC1CNC1 AC-092 [0,1,0,1,0,0|0,0,0]=2 73 B5R1.2 OC1CNC1 AC-868 [0,1,0,1,0,0|0,0,0]=2 74 B5R1.3 BrCC1CC1 AC-8355 [0,1,0,1,0,0|1,0,0]=3 75 B5R1.3 ClCC1CO1 AC-2089 [0,1,0,1,0,0|0,0,0]=2 76 B5R1.3 ClC[C@@H]1CO1 AC-7035 [0,1,0,1,0,0|0,0,0]=2 77 B5R1.3 ClC[C@H]1CO1 AC-7036 [0,1,0,1,0,0|0,0,0]=2 78 B5R1.3 NCC1CC1 AC-13087 [0,1,0,1,0,0|1,0,0]=3 79 B5R1.3 OC[C@@H]1CO1 AC-7042 [0,1,0,1,0,0|0,0,0]=2 80 B5R1.3 OC[C@H]1CO1 AC-7041 [0,1,0,1,0,0|0,0,0]=2 81 B5R1.5 CC1(N)CC1 AC-29471 [0,1,0,1,0,0|1,0,0]=3 82 B5R1.1 C1=CCNC1 AC-22446 [0,1,0,1,0,0|1,0,1]=4 83 B5R1.1 C1CNNC1 AC-31755 [0,1,0,1,0,0|1,0,0]=3