0 B3R0.2 CC(=N)N BB_SC-06819 [0,0,0,0,0,0|3,0,0]=3 1 B3R0.2 CC(C)Br BB_SC-06848 [0,0,0,0,0,0|3,0,1]=4 2 B3R0.2 CC(C)I BB_SC-06934 [0,0,0,0,0,0|3,0,1]=4 3 B3R0.2 NC(=S)[S-] BB_SC-11380 [0,0,0,0,0,0|1,2,0]=3 4 B2R0.1 CCI BB_SC-11853 [1,0,0,0,0,0|2,0,1]=4 5 B2R0.1 CNN BB_SC-12360 [1,0,0,0,0,0|3,0,0]=4 6 B2R0.1 CON BB_SC-06505 [1,0,0,0,0,0|3,0,0]=4 7 B2R0.1 ICI BB_SC-06852 [1,0,0,0,0,0|2,0,1]=4 8 B4R0.1 C#CC(=O)O BB_SC-06516 [0,1,0,0,0,0|1,0,0]=2 9 B4R0.1 C#CC(C)O BB_SC-06602 [0,1,0,0,0,0|2,0,1]=4 10 B4R0.1 C=C(C)C#N BB_SC-06810 [0,1,0,0,0,0|3,0,0]=4 11 B4R0.1 CC(=O)CCl BB_SC-12393 [0,1,0,0,0,0|2,0,0]=3 12 B4R0.1 CC(=O)CO BB_SC-06929 [0,1,0,0,0,0|1,0,0]=2 13 B4R0.1 CC(C)C=O BB_SC-11515 [0,1,0,0,0,0|2,0,1]=4 14 B4R0.1 CC(O)CCl BB_SC-06971 [0,1,0,0,0,0|2,0,1]=4 15 B4R0.1 CC(O)CO BB_SC-07047 [0,1,0,0,0,0|1,0,1]=3 16 B4R0.1 CCC(=O)Cl BB_SC-06942 [0,1,0,0,0,0|2,0,0]=3 17 B4R0.1 CCC(C)=O BB_SC-06989 [0,1,0,0,0,0|2,0,0]=3 18 B4R0.1 CCC(C)O BB_SC-07031 [0,1,0,0,0,0|2,0,1]=4 19 B4R0.1 CNC(=N)N BB_SC-06585 [0,1,0,0,0,0|3,0,0]=4 20 B4R0.1 CNC(N)=O BB_SC-07198 [0,1,0,0,0,0|2,0,0]=3 21 B4R0.1 COC(=N)N BB_SC-07172 [0,1,0,0,0,0|2,0,0]=3 22 B4R0.1 COC(=O)Cl BB_SC-07075 [0,1,0,0,0,0|1,0,0]=2 23 B4R0.1 COC(N)=O BB_SC-06903 [0,1,0,0,0,0|1,0,0]=2 24 B4R0.1 CSC(=N)N BB_SC-07197 [0,1,0,0,0,0|2,1,0]=4 25 B4R0.1 C\C(N)=N\O BB_SC-09052 [0,1,0,0,0,0|2,0,0]=3 26 B4R0.1 NC(=O)CCl BB_SC-06849 [0,1,0,0,0,0|2,0,0]=3 27 B4R0.1 NC(=O)NO BB_SC-07256 [0,1,0,0,0,0|1,0,0]=2 28 B4R0.1 NNC(N)=O BB_SC-07175 [0,1,0,0,0,0|2,0,0]=3 29 B4R0.1 O=C(Br)CBr BB_SC-06823 [0,1,0,0,0,0|2,0,0]=3 30 B4R0.1 O=C(Cl)CCl BB_SC-06733 [0,1,0,0,0,0|2,0,0]=3 31 B4R0.1 O=C(O)CCl BB_SC-12338 [0,1,0,0,0,0|1,0,0]=2 32 B4R0.1 O=C(O)CI BB_SC-06475 [0,1,0,0,0,0|1,0,0]=2 33 B4R0.1 [C@H](C)(O)CN BB_NC-02322 [0,1,0,0,0,0|2,0,1]=4 34 B4R0.3 NS(N)(=O)=O BB_SC-11516 [0,1,0,0,0,0|2,0,1]=4 35 B4R0.3 O=P(Br)(Br)Br BB_SC-11856 [0,1,0,0,0,0|3,0,0]=4 36 B4R0.3 O=S(=O)(O)O BB_SC-06493 [0,1,0,0,0,0|1,0,0]=2 37 B1R0.1 CI BB_SC-11854 [2,0,0,0,0,0|1,0,1]=4 38 B1R0.1 C[S-] BB_SC-06572 [2,0,0,0,0,0|0,1,1]=4 39 B1R0.1 [C-]#[O+] BB_SC-07223 [2,0,0,0,0,0|0,0,2]=4 40 B3R0.1 C#CCO BB_SC-06540 [1,1,0,0,0,0|1,0,1]=4 41 B3R0.1 C=CC#N BB_SC-05732 [1,1,0,0,0,0|2,0,0]=4 42 B3R0.1 CNC=O BB_SC-06939 [1,1,0,0,0,0|1,0,0]=3 43 B3R0.1 O=CC=O BB_SC-07204 [1,1,0,0,0,0|0,0,1]=3 44 B3R0.1 OCCBr BB_SC-07017 [1,1,0,0,0,0|1,0,1]=4 45 B3R0.1 OCCCl BB_SC-07062 [1,1,0,0,0,0|1,0,1]=4 46 B3R0.1 OCCF BB_SC-00430 [1,1,0,0,0,0|1,0,1]=4 47 B3R0.1 OCCI BB_SC-04664 [1,1,0,0,0,0|1,0,1]=4 48 B5R0.1 C=C(C)CCO BB_NC-02269 [0,2,0,0,0,0|2,0,0]=4 49 B5R0.1 C=COC(C)=O BB_SC-12396 [0,2,0,0,0,0|1,0,0]=3 50 B5R0.1 CC(=O)CCO BB_SC-06926 [0,2,0,0,0,0|1,0,0]=3 51 B5R0.1 CC(C)=CCO BB_NC-02261 [0,2,0,0,0,0|2,0,0]=4 52 B5R0.1 CC(O)CCO BB_SC-11995 [0,2,0,0,0,0|1,0,1]=4 53 B5R0.1 CCCC(=O)Cl BB_SC-06847 [0,2,0,0,0,0|2,0,0]=4 54 B5R0.1 CCOC(=O)Cl BB_SC-07081 [0,2,0,0,0,0|1,0,0]=3 55 B5R0.1 CNCC(=O)O BB_NC-02298 [0,2,0,0,0,0|1,0,0]=3 56 B5R0.1 CNCC(N)=O BB_NC-02649 [0,2,0,0,0,0|2,0,0]=4 57 B5R0.1 COCC(=O)Cl BB_SC-11218 [0,2,0,0,0,0|1,0,0]=3 58 B5R0.1 CSCC(C)=O BB_SC-12665 [0,2,0,0,0,0|1,1,0]=4 59 B5R0.1 C\C=C\C(=O)Cl BB_SC-06652 [0,2,0,0,0,0|2,0,0]=4 60 B5R0.1 C\C=C\C(=O)O BB_NC-02305 [0,2,0,0,0,0|1,0,0]=3 61 B5R0.1 N#CCC(=O)O BB_SC-07146 [0,2,0,0,0,0|1,0,0]=3 62 B5R0.1 N#CCC(N)=O BB_SC-06719 [0,2,0,0,0,0|2,0,0]=4 63 B5R0.1 NC(=O)CCCl BB_SC-07003 [0,2,0,0,0,0|2,0,0]=4 64 B5R0.1 NCCC(=O)O BB_SC-12000 [0,2,0,0,0,0|1,0,0]=3 65 B5R0.1 O=C(Cl)CCBr BB_SC-07207 [0,2,0,0,0,0|2,0,0]=4 66 B5R0.1 O=C(Cl)CCCl BB_SC-06831 [0,2,0,0,0,0|2,0,0]=4 67 B5R0.1 O=C(O)CCBr BB_SC-12703 [0,2,0,0,0,0|1,0,0]=3 68 B5R0.1 O=C(O)CCCl BB_SC-06966 [0,2,0,0,0,0|1,0,0]=3 69 B5R0.3 C=CC(=O)OC BB_SC-06906 [0,2,0,0,0,0|1,0,0]=3 70 B5R0.3 CCC(=O)CC BB_SC-06948 [0,2,0,0,0,0|2,0,0]=4 71 B5R0.3 CCC(=O)NO BB_SC-06499 [0,2,0,0,0,0|1,0,0]=3 72 B5R0.3 CNC(=O)NC BB_SC-07191 [0,2,0,0,0,0|2,0,0]=4 73 B5R0.3 COC(=O)CN BB_NC-03070 [0,2,0,0,0,0|1,0,0]=3 74 B5R0.3 COC(=O)CO BB_SC-06427 [0,2,0,0,0,0|0,0,0]=2 75 B5R0.3 COC(=O)CS BB_SC-06606 [0,2,0,0,0,0|0,1,0]=3 76 B5R0.3 COC(=O)NN BB_SC-07168 [0,2,0,0,0,0|1,0,0]=3 77 B5R0.3 O=C(CCl)CCl BB_SC-08807 [0,2,0,0,0,0|2,0,0]=4 78 B5R0.3 OCC(O)CCl BB_SC-06682 [0,2,0,0,0,0|1,0,1]=4 79 B5R0.4 NCS(=O)(=O)O BB_SC-09402 [0,2,0,0,0,0|1,0,1]=4 80 B5R0.4 NOS(=O)(=O)O BB_SC-04662 [0,2,0,0,0,0|1,0,0]=3 81 B5R0.5 C=C(C)C(=O)Cl BB_SC-00220 [0,2,0,0,0,0|2,0,0]=4 82 B5R0.5 C=C(C)C(=O)O BB_NC-02230 [0,2,0,0,0,0|1,0,0]=3 83 B5R0.5 C=C(C)C(N)=O BB_SC-06844 [0,2,0,0,0,0|2,0,0]=4 84 B5R0.5 CC(=O)C(=O)O BB_SC-07199 [0,2,0,0,0,0|0,0,1]=3 85 B5R0.5 CC(=O)C(C)=O BB_SC-08804 [0,2,0,0,0,0|1,0,1]=4 86 B5R0.5 CC(C)C(=O)Cl BB_SC-12003 [0,2,0,0,0,0|2,0,0]=4 87 B5R0.5 CC(C)C(=O)O BB_SC-06843 [0,2,0,0,0,0|1,0,0]=3 88 B5R0.5 CC(O)C(N)=O BB_SC-07034 [0,2,0,0,0,0|1,0,0]=3 89 B5R0.5 CC(S)C(=O)O BB_SC-09380 [0,2,0,0,0,0|0,1,0]=3 90 B5R0.5 CN(C)C(=O)Cl BB_SC-11217 [0,2,0,0,0,0|2,0,0]=4 91 B5R0.5 C[C@H](N)C(N)=O BB_NC-02403 [0,2,0,0,0,0|2,0,0]=4 92 B5R0.5 C[C@H](O)C(=O)O BB_NC-02324 [0,2,0,0,0,0|0,0,0]=2 93 B5R0.5 NC(=O)C(Cl)Cl BB_SC-08831 [0,2,0,0,0,0|2,0,0]=4 94 B5R0.5 O=C(Cl)C(=O)Cl BB_SC-07090 [0,2,0,0,0,0|1,0,1]=4 95 B5R0.5 O=C(Cl)C(Cl)Cl BB_SC-06836 [0,2,0,0,0,0|2,0,0]=4 96 B5R0.5 O=C(O)C(Cl)Cl BB_SC-06987 [0,2,0,0,0,0|1,0,0]=3