0 B3R0.2 CC(=N)N BB_SC-06819 [0,0,0,0,0,0|1,0,0]=1 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|1,1,0]=2 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|2,0,0]=3 6 B2R0.1 CON BB_SC-06505 [1,0,0,0,0,0|2,0,0]=3 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|2,0,0]=3 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|2,0,1]=4 11 B4R0.1 CC(=O)CCl BB_SC-12393 [0,1,0,0,0,0|2,0,1]=4 12 B4R0.1 CC(=O)CO BB_SC-06929 [0,1,0,0,0,0|2,0,0]=3 13 B4R0.1 CC(N)CN BB_SC-06623 [0,1,0,0,0,0|1,0,2]=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|2,0,1]=4 16 B4R0.1 CCC(=O)Cl BB_SC-06942 [0,1,0,0,0,0|2,0,1]=4 17 B4R0.1 CCC(C)=O BB_SC-06989 [0,1,0,0,0,0|2,0,1]=4 18 B4R0.1 CCC(C)N BB_SC-06740 [0,1,0,0,0,0|2,0,1]=4 19 B4R0.1 CCC(C)O BB_SC-07031 [0,1,0,0,0,0|2,0,1]=4 20 B4R0.1 CNC(=N)N BB_SC-06585 [0,1,0,0,0,0|1,0,0]=2 21 B4R0.1 CNC(N)=O BB_SC-07198 [0,1,0,0,0,0|0,0,2]=3 22 B4R0.1 COC(=N)N BB_SC-07172 [0,1,0,0,0,0|0,0,0]=1 23 B4R0.1 COC(=O)Cl BB_SC-07075 [0,1,0,0,0,0|2,0,0]=3 24 B4R0.1 COC(N)=O BB_SC-06903 [0,1,0,0,0,0|1,0,0]=2 25 B4R0.1 CSC(=N)N BB_SC-07197 [0,1,0,0,0,0|0,1,0]=2 26 B4R0.1 C\C(N)=N\O BB_SC-09052 [0,1,0,0,0,0|1,0,0]=2 27 B4R0.1 NC(=O)CCl BB_SC-06849 [0,1,0,0,0,0|1,0,1]=3 28 B4R0.1 NC(=O)NO BB_SC-07256 [0,1,0,0,0,0|1,0,0]=2 29 B4R0.1 NNC(N)=O BB_SC-07175 [0,1,0,0,0,0|0,0,2]=3 30 B4R0.1 O=C(Br)CBr BB_SC-06823 [0,1,0,0,0,0|2,0,1]=4 31 B4R0.1 O=C(Cl)CCl BB_SC-06733 [0,1,0,0,0,0|2,0,1]=4 32 B4R0.1 O=C(O)CCl BB_SC-12338 [0,1,0,0,0,0|2,0,0]=3 33 B4R0.1 O=C(O)CI BB_SC-06475 [0,1,0,0,0,0|2,0,0]=3 34 B4R0.1 [C@H](C)(O)CN BB_NC-02322 [0,1,0,0,0,0|1,0,1]=3 35 B4R0.3 NS(N)(=O)=O BB_SC-11516 [0,1,0,0,0,0|1,0,2]=4 36 B4R0.3 O=S(=O)(O)O BB_SC-06493 [0,1,0,0,0,0|3,0,0]=4 37 B4R1.2 NC1CC1 BB_SC-07203 [0,0,0,1,0,0|2,0,1]=4 38 B1R0.1 CI BB_SC-11854 [2,0,0,0,0,0|1,0,1]=4 39 B1R0.1 C[S-] BB_SC-06572 [2,0,0,0,0,0|0,1,1]=4 40 B1R0.1 [C-]#[O+] BB_SC-07223 [2,0,0,0,0,0|0,0,2]=4 41 B3R0.1 C#CCN BB_SC-08803 [1,1,0,0,0,0|1,0,1]=4 42 B3R0.1 C#CCO BB_SC-06540 [1,1,0,0,0,0|1,0,1]=4 43 B3R0.1 C=CC#N BB_SC-05732 [1,1,0,0,0,0|1,0,1]=4 44 B3R0.1 CN=C=S BB_SC-05863 [1,1,0,0,0,0|0,1,1]=4 45 B3R0.1 CNC=O BB_SC-06939 [1,1,0,0,0,0|0,0,1]=3 46 B3R0.1 N#CCN BB_SC-06479 [1,1,0,0,0,0|0,0,2]=4 47 B3R0.1 NCCBr BB_SC-12695 [1,1,0,0,0,0|1,0,1]=4 48 B3R0.1 NCCCl BB_SC-07224 [1,1,0,0,0,0|1,0,1]=4 49 B3R0.1 O=CC=O BB_SC-07204 [1,1,0,0,0,0|1,0,1]=4 50 B3R0.1 OCCBr BB_SC-07017 [1,1,0,0,0,0|1,0,1]=4 51 B3R0.1 OCCCl BB_SC-07062 [1,1,0,0,0,0|1,0,1]=4 52 B3R0.1 OCCF BB_SC-00430 [1,1,0,0,0,0|1,0,1]=4 53 B3R0.1 OCCI BB_SC-04664 [1,1,0,0,0,0|1,0,1]=4 54 B5R0.1 C=C(C)CCO BB_NC-02269 [0,2,0,0,0,0|2,0,0]=4 55 B5R0.1 C=COC(C)=O BB_SC-12396 [0,2,0,0,0,0|2,0,0]=4 56 B5R0.1 CC(=O)CCO BB_SC-06926 [0,2,0,0,0,0|2,0,0]=4 57 B5R0.1 CC(C)=CCO BB_NC-02261 [0,2,0,0,0,0|2,0,0]=4 58 B5R0.1 CCOC(=O)Cl BB_SC-07081 [0,2,0,0,0,0|2,0,0]=4 59 B5R0.1 CNCC(=O)O BB_NC-02298 [0,2,0,0,0,0|1,0,0]=3 60 B5R0.1 CNCC(N)=O BB_NC-02649 [0,2,0,0,0,0|0,0,2]=4 61 B5R0.1 COCC(=O)Cl BB_SC-11218 [0,2,0,0,0,0|2,0,0]=4 62 B5R0.1 C\C=C\C(=O)O BB_NC-02305 [0,2,0,0,0,0|2,0,0]=4 63 B5R0.1 N#CCC(=O)O BB_SC-07146 [0,2,0,0,0,0|1,0,1]=4 64 B5R0.1 N#CCC(N)=O BB_SC-06719 [0,2,0,0,0,0|0,0,2]=4 65 B5R0.1 N#CCC(N)=S BB_SC-11379 [0,2,0,0,0,0|0,1,1]=4 66 B5R0.1 N#CN=C(N)N BB_SC-07190 [0,2,0,0,0,0|1,0,0]=3 67 B5R0.1 NC(=O)CCCl BB_SC-07003 [0,2,0,0,0,0|1,0,1]=4 68 B5R0.1 NCCC(=O)O BB_SC-12000 [0,2,0,0,0,0|1,0,0]=3 69 B5R0.1 O=C(O)CCBr BB_SC-12703 [0,2,0,0,0,0|2,0,0]=4 70 B5R0.1 O=C(O)CCCl BB_SC-06966 [0,2,0,0,0,0|2,0,0]=4 71 B5R0.3 C=CC(=O)OC BB_SC-06906 [0,2,0,0,0,0|2,0,0]=4 72 B5R0.3 CCC(=O)NO BB_SC-06499 [0,2,0,0,0,0|1,0,1]=4 73 B5R0.3 CCC(N)CO BB_SC-06587 [0,2,0,0,0,0|1,0,1]=4 74 B5R0.3 CNC(=O)NC BB_SC-07191 [0,2,0,0,0,0|0,0,2]=4 75 B5R0.3 COC(=O)CN BB_NC-03070 [0,2,0,0,0,0|1,0,0]=3 76 B5R0.3 COC(=O)CO BB_SC-06427 [0,2,0,0,0,0|2,0,0]=4 77 B5R0.3 COC(=O)CS BB_SC-06606 [0,2,0,0,0,0|2,0,0]=4 78 B5R0.3 COC(=O)NN BB_SC-07168 [0,2,0,0,0,0|1,0,0]=3 79 B5R0.3 N=C(NN)NN BB_SC-08192 [0,2,0,0,0,0|1,0,0]=3 80 B5R0.3 NCC(O)CN BB_SC-06694 [0,2,0,0,0,0|0,0,2]=4 81 B5R0.4 CC(C)(N)CO BB_SC-06588 [0,2,0,0,0,0|1,0,1]=4 82 B5R0.4 NCS(=O)(=O)O BB_SC-09402 [0,2,0,0,0,0|2,0,0]=4 83 B5R0.4 NOS(=O)(=O)O BB_SC-04662 [0,2,0,0,0,0|2,0,0]=4 84 B5R0.5 C=C(C)C(=O)O BB_NC-02230 [0,2,0,0,0,0|2,0,0]=4 85 B5R0.5 C=C(C)C(N)=O BB_SC-06844 [0,2,0,0,0,0|1,0,1]=4 86 B5R0.5 CC(=O)C(=O)O BB_SC-07199 [0,2,0,0,0,0|2,0,0]=4 87 B5R0.5 CC(C)C(=N)N BB_SC-09590 [0,2,0,0,0,0|1,0,0]=3 88 B5R0.5 CC(C)C(=O)O BB_SC-06843 [0,2,0,0,0,0|2,0,0]=4 89 B5R0.5 CC(O)C(N)=O BB_SC-07034 [0,2,0,0,0,0|1,0,0]=3 90 B5R0.5 CC(S)C(=O)O BB_SC-09380 [0,2,0,0,0,0|2,0,0]=4 91 B5R0.5 CN(C)C(=O)Cl BB_SC-11217 [0,2,0,0,0,0|1,0,1]=4 92 B5R0.5 CN(C)C(=S)Cl BB_SC-06432 [0,2,0,0,0,0|1,1,0]=4 93 B5R0.5 CN(C)C(=S)[S-] BB_SC-06476 [0,2,0,0,0,0|1,1,0]=4 94 B5R0.5 C[C@H](N)C(N)=O BB_NC-02403 [0,2,0,0,0,0|0,0,2]=4 95 B5R0.5 C[C@H](O)C(=O)O BB_NC-02324 [0,2,0,0,0,0|2,0,0]=4 96 B5R0.5 N=C(/N)N(C)C BB_SC-07220 [0,2,0,0,0,0|1,0,0]=3 97 B5R0.5 NC(=O)C(Cl)Cl BB_SC-08831 [0,2,0,0,0,0|1,0,1]=4 98 B5R0.5 O=C(O)C(Cl)Cl BB_SC-06987 [0,2,0,0,0,0|2,0,0]=4