0 B6R0.1 CCCC(=N)NN AB56218 [0,0,0,0,0,0|4,0,0]=4 1 B6R0.1 CCNC(=O)C=C CB10170 [0,0,0,0,0,0|1,0,0]=1 2 B6R0.1 CCOC(=N)CCl AB60917 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.1 CCOC(=N)CO AB60920 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.1 CCOC(=O)C#N PB24520 [0,0,0,0,0,0|1,0,1]=2 5 B5R0.1 C=C(CCCl)I MB13669 [1,0,0,0,0,0|3,0,0]=4 6 B5R0.3 CCC(=N)NN AB56212 [1,0,0,0,0,0|3,0,0]=4 7 B5R0.3 CCC(=O)C=O AB21438 [1,0,0,0,0,0|1,0,0]=2 8 B5R0.3 CCC(=O)NN PB26058 [1,0,0,0,0,0|2,0,0]=3 9 B5R0.3 COC(=O)CN AB01112 [1,0,0,0,0,0|1,0,1]=3 10 B7R0.3 CCO\C=C(/C)\C#N AB77030 [0,1,0,0,0,0|2,0,1]=4 11 B7R0.3 COC(=O)CCCO AB65249 [0,1,0,0,0,0|2,0,1]=4 12 B7R0.5 CCOC(=O)C(=O)N AB00911 [0,1,0,0,0,0|1,0,0]=2 13 B7R0.5 CCOC(=O)C(=S)N PB24589 [0,1,0,0,0,0|1,0,0]=2 14 B7R0.7 CCOC(=O)C#CC AB01182 [0,1,0,0,0,0|0,0,2]=3 15 B7R0.7 CCOC(=O)C[N+]#[C-] AB00104 [0,1,0,0,0,0|0,0,2]=3 16 B7R0.7 CCOC(=O)N=C=S AB00381 [0,1,0,0,0,0|1,0,1]=3 17 B7R0.10 CCC(C(=O)OC)N AB16757 [0,1,0,0,0,0|2,0,1]=4 18 B7R1.2 CC1=NC(=O)N=C1 AB05017 [0,0,0,1,0,0|2,0,1]=4 19 B7R1.2 Cc1ccc(o1)Br AB64979 [0,0,0,1,0,0|1,0,1]=3 20 B7R1.2 Cc1ccn(n1)C PB27396 [0,0,0,1,0,0|3,0,0]=4 21 B7R1.2 Cc1cnc(o1)Br AB71573 [0,0,0,1,0,0|2,0,1]=4 22 B7R1.2 Cc1cnc(o1)C AB72158 [0,0,0,1,0,0|2,0,1]=4 23 B7R1.2 Cc1cnc(o1)Cl AB53091 [0,0,0,1,0,0|2,0,1]=4 24 B7R1.2 Cc1cnc(o1)N AB52683 [0,0,0,1,0,0|2,0,1]=4 25 B7R1.2 Cc1cnc(o1)O AB53086 [0,0,0,1,0,0|1,0,2]=4 26 B7R1.2 Cc1ncc(o1)N MB11377 [0,0,0,1,0,0|2,0,1]=4 27 B7R1.2 Cn1ccc(c1)Br AB63663 [0,0,0,1,0,0|3,0,0]=4 28 B7R1.2 Cn1ccc(n1)Br PB19136 [0,0,0,1,0,0|3,0,0]=4 29 B7R1.2 Cn1ccc(n1)I PB26365 [0,0,0,1,0,0|3,0,0]=4 30 B7R1.2 Cn1ccc(n1)N PB12171 [0,0,0,1,0,0|3,0,0]=4 31 B7R1.3 C1CC(=O)CNC1 AB27650 [0,0,0,1,0,0|2,0,1]=4 32 B7R1.3 C1CC(=O)CNC1 PB26241 [0,0,0,1,0,0|2,0,1]=4 33 B7R1.3 C1CC(=O)COC1 PB27461 [0,0,0,1,0,0|2,0,1]=4 34 B7R1.3 C1CC(=O)CSC1 PB28980 [0,0,0,1,0,0|2,0,1]=4 35 B7R1.3 C1CNC(=O)CN1 PB23229 [0,0,0,1,0,0|2,0,1]=4 36 B7R1.3 C1COC(=O)CN1 AB71646 [0,0,0,1,0,0|1,0,1]=3 37 B7R1.3 C1COCC(=O)N1 PB29100 [0,0,0,1,0,0|2,0,1]=4 38 B7R1.4 C1CNC(=O)[C@@H]1N AB64075 [0,0,0,1,0,0|2,0,1]=4 39 B7R1.4 C1CNC(=O)[C@H]1N AB64072 [0,0,0,1,0,0|2,0,1]=4 40 B7R1.4 C1CNC(=O)[C@H]1O AB29512 [0,0,0,1,0,0|2,0,1]=4 41 B7R1.4 C1COC(=O)[C@@H]1O MB00930 [0,0,0,1,0,0|1,0,1]=3 42 B7R1.22 C1CC1C(=O)C=O AB62322 [0,0,0,1,0,0|2,0,0]=3 43 B7R1.22 C1CC1C(=O)CBr AB45693 [0,0,0,1,0,0|2,0,1]=4 44 B7R1.22 C1CC1C(=O)NN PB14101 [0,0,0,1,0,0|3,0,0]=4 45 B4R0.1 C=C(CBr)I MB13667 [2,0,0,0,0,0|2,0,0]=4 46 B4R0.1 C=C[N+](=O)[O-] CB10433 [2,0,0,0,0,0|1,0,1]=4 47 B4R0.1 CC(=O)C=O AB00820 [2,0,0,0,0,0|1,0,0]=3 48 B4R0.1 CC(=O)NN AB00888 [2,0,0,0,0,0|2,0,0]=4 49 B4R0.1 CC(=O)NO AB01014 [2,0,0,0,0,0|2,0,0]=4 50 B4R0.1 CCC(=N)N AB07703 [2,0,0,0,0,0|2,0,0]=4 51 B4R0.1 C\C=C(/C)\Br AB00105 [2,0,0,0,0,0|1,0,1]=4 52 B4R0.2 C=CCCBr AB00123 [2,0,0,0,0,0|1,0,1]=4 53 B4R0.2 C=CCCN AB14698 [2,0,0,0,0,0|1,0,1]=4 54 B4R0.2 C=CCCO AB00288 [2,0,0,0,0,0|1,0,1]=4 55 B6R0.2 CC(C)O[N+](=O)[O-] AB00827 [1,1,0,0,0,0|2,0,0]=4 56 B6R0.3 CCC(C(=O)O)N AB00928 [1,1,0,0,0,0|2,0,0]=4 57 B6R0.3 CCN(C)C(=O)Cl MB05193 [1,1,0,0,0,0|2,0,0]=4 58 B6R0.4 C=C(CCCCl)I MB13670 [1,1,0,0,0,0|2,0,0]=4 59 B8R0.5 CCOC(=O)CC(=N)N AB29705 [0,2,0,0,0,0|0,0,1]=3 60 B8R0.5 CCOC(=O)CC(=O)O AB01280 [0,2,0,0,0,0|0,0,1]=3 61 B8R0.5 CCOC(=O)CC(=O)[O-] AB01563 [0,2,0,0,0,0|0,0,1]=3 62 B8R0.5 CCOC(=O)CC(F)F AB71794 [0,2,0,0,0,0|0,0,2]=4 63 B8R0.24 CC(C)(C)OC(=O)NN PB18405 [0,2,0,0,0,0|2,0,0]=4 64 B8R0.24 CC(C)(C)OC(=O)NO AB00205 [0,2,0,0,0,0|2,0,0]=4 65 B8R0.1 CCOC(=O)CN=C=O AB00195 [0,2,0,0,0,0|0,0,2]=4 66 B8R0.3 CCOC(=O)[C@H](CO)N AB46080 [0,2,0,0,0,0|0,0,2]=4 67 B8R0.9 CC(=O)OCC(=O)C=C AB16085 [0,2,0,0,0,0|0,0,1]=3 68 B6R1.2 CC1=CCCO1 AB00300 [1,0,0,1,0,0|1,0,0]=3 69 B6R1.1 C1CNCC=C1 PB15670 [1,0,0,1,0,0|1,0,1]=4 70 B8R1.1 CCc1cnc(o1)N AB64704 [0,1,0,1,0,0|2,0,0]=4 71 B8R1.1 Cc1ccc(s1)C=O AB00417 [0,1,0,1,0,0|0,1,1]=4 72 B8R1.1 Cc1ncc(o1)C=O AB27658 [0,1,0,1,0,0|1,0,1]=4 73 B8R1.1 Cn1ccc(n1)C=O AB14508 [0,1,0,1,0,0|2,0,0]=4 74 B8R1.4 C1CC(=CC(=O)C1)I MB07038 [0,1,0,1,0,0|1,0,0]=3 75 B8R1.4 C1CNC(=O)CC1=O PB20308 [0,1,0,1,0,0|1,0,1]=4 76 B8R1.4 C1CNC(=O)OC1=O AB27597 [0,1,0,1,0,0|2,0,0]=4 77 B8R1.4 Cc1cc[nH]c(=O)n1 PB19074 [0,1,0,1,0,0|1,0,1]=4 78 B8R1.18 CC1C(=O)NC(=O)O1 AB26261 [0,1,0,1,0,0|1,0,0]=3 79 B8R1.3 CC1CNC(=O)CO1 AB71787 [0,1,0,1,0,0|1,0,1]=4 80 B8R1.3 Cc1ccc(=O)[nH]n1 PB21643 [0,1,0,1,0,0|1,0,1]=4 81 B8R1.5 C1CC=C(C(=C1)O)Cl AB31829 [0,1,0,1,0,0|1,0,1]=4 82 B8R1.54 C1CC1C(=O)C(=O)O AB65215 [0,1,0,1,0,0|2,0,0]=4 83 B8R1.11 CCn1c(ccn1)N PB15601 [0,1,0,1,0,0|2,0,0]=4