0 B6R0.3 CC(CN)C(=O)O BB58-0275 [0,0,0,0,0,0|1,0,0]=1 1 B6R0.3 CCC(N)C(=O)O BB55-8838 [0,0,0,0,0,0|1,0,0]=1 2 B6R0.3 CON(C)C(C)=O BB20-1414 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.3 C\C=C(/Br)C(=O)O BB58-4520 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.3 NCC(O)C(=O)O BB58-4543 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.1 CCCC(=N)N BB01-7895 [1,0,0,0,0,0|2,0,0]=3 6 B5R0.1 CCNC(N)=S BB20-1166 [1,0,0,0,0,0|2,1,0]=4 7 B5R0.3 CCC(O)C#N BB58-1311 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.3 CCC(O)CN BB58-0207 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.3 CC\C(N)=N\O BB05-3255 [1,0,0,0,0,0|2,0,1]=4 10 B5R0.3 OCC(O)CCl BB01-5909 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.5 CC(C)C(N)=O BB01-6147 [1,0,0,0,0,0|1,0,0]=2 12 B5R0.5 CC(C)C(N)=S BB01-7896 [1,0,0,0,0,0|1,1,0]=3 13 B5R0.5 CN(C)C(N)=S BB55-6887 [1,0,0,0,0,0|2,1,0]=4 14 B7R0.5 CCNC(C)C(N)=O BB58-3590 [0,1,0,0,0,0|1,0,0]=2 15 B7R0.5 CCOC(=O)C(=O)[O-] BB58-2852 [0,1,0,0,0,0|1,0,2]=4 16 B7R0.5 NCCC(N)C(=O)O BB57-6108 [0,1,0,0,0,0|1,0,0]=2 17 B7R0.5 O=C(Cl)C(Br)CCBr BB58-1369 [0,1,0,0,0,0|2,0,0]=3 18 B7R0.10 CCC(C)C(N)CO BB01-5326 [0,1,0,0,0,0|1,0,1]=3 19 B7R0.2 NCC(O)CC(=O)O BB57-4937 [0,0,0,0,0,1|2,0,0]=3 20 B4R0.1 CC(O)C#N BB58-1312 [2,0,0,0,0,0|1,0,1]=4 21 B4R0.1 CCC(N)=S BB58-4261 [2,0,0,0,0,0|1,1,0]=4 22 B4R0.1 CCS(=O)[O-] BB58-0194 [2,0,0,0,0,0|1,0,1]=4 23 B4R0.1 NC(=O)CO BB58-4485 [2,0,0,0,0,0|2,0,0]=4 24 B4R0.2 CCN=C=O BB01-7862 [2,0,0,0,0,0|1,0,1]=4 25 B4R0.2 CNCCO BB53-1758 [2,0,0,0,0,0|1,0,1]=4 26 B6R0.1 CCCC(=O)NN BB01-6388 [1,1,0,0,0,0|1,0,0]=3 27 B6R0.1 CCCC(O)C#N BB58-1313 [1,1,0,0,0,0|1,0,1]=4 28 B6R0.1 CCNC(=O)CCl BB20-1611 [1,1,0,0,0,0|2,0,0]=4 29 B6R0.1 CCOC(=O)NN BB17-2384 [1,1,0,0,0,0|2,0,0]=4 30 B6R0.1 CNC(=O)CCN BB32-2825 [1,1,0,0,0,0|2,0,0]=4 31 B6R0.2 CC(C)CB(O)O BB01-8323 [1,1,0,0,0,0|1,0,1]=4 32 B6R0.4 CC(=O)NCCN BB20-2208 [1,1,0,0,0,0|2,0,0]=4 33 B6R0.4 CCNCC(=O)O BB20-0183 [1,1,0,0,0,0|0,0,0]=2 34 B6R0.4 O=CNCC(=O)O BB01-7318 [1,1,0,0,0,0|1,0,1]=4 35 B6R0.7 CC(C)(C)C(=N)N BB57-6492 [1,1,0,0,0,0|2,0,0]=4 36 B8R0.2 CCN(C)C(C)C(=O)O BB58-2807 [0,1,0,0,0,1|1,0,0]=3 37 B8R0.19 CCC(C)NC(=O)CCl BB01-5134 [0,1,0,0,0,1|1,0,0]=3 38 B8R0.23 CC(C)C(N)CC(=O)O BB01-4066 [0,1,0,0,0,1|1,0,0]=3 39 B8R0.3 CCCC(N)C(=O)OC BB55-8831 [0,2,0,0,0,0|1,0,0]=3 40 B8R0.3 CCOC(=O)C(N)CC BB57-6786 [0,2,0,0,0,0|1,0,0]=3 41 B8R0.3 CCOC(=O)C(N)CO BB20-2193 [0,2,0,0,0,0|2,0,0]=4 42 B8R0.3 CCOC(=O)[C@@H](N)CS BB01-6199 [0,2,0,0,0,0|2,0,0]=4 43 B8R0.3 COC(=O)C(C)N=C=S BB55-7688 [0,2,0,0,0,0|1,0,1]=4 44 B8R0.8 CC(=O)C(C)CCC#N BB01-5869 [0,2,0,0,0,0|1,0,0]=3 45 B8R0.8 CCCCC(C)C(=O)O BB58-4619 [0,2,0,0,0,0|0,0,0]=2 46 B8R0.8 CCCNC(=O)C(=O)O BB55-4706 [0,2,0,0,0,0|1,0,1]=4 47 B8R0.8 NCCCC(N)C(=O)O BB57-0193 [0,2,0,0,0,0|1,0,0]=3 48 B8R0.12 CCCC(C)(C)C(=O)O BB57-6787 [0,2,0,0,0,0|0,0,0]=2 49 B8R0.20 CCC(CC)C(=O)NN BB55-1908 [0,2,0,0,0,0|1,0,0]=3 50 B8R0.20 CCN(CC)C(=O)CBr BB53-2065 [0,2,0,0,0,0|2,0,0]=4 51 B8R0.20 CCN(CC)C(=O)CCl BB53-2064 [0,2,0,0,0,0|2,0,0]=4 52 B8R0.18 CCC(C(=O)O)C(=O)O BB01-8140 [0,2,0,0,0,0|0,0,1]=3 53 B6R1.2 O=C1CCSC1 BB01-8335 [1,0,0,1,0,0|2,0,0]=4 54 B6R1.2 OC1=NNCC1 BB53-1267 [1,0,0,1,0,0|2,0,0]=4 55 B6R1.11 CC(=O)C1CC1 BB01-6094 [1,0,0,1,0,0|1,0,0]=3 56 B8R1.5 CC1SCCNC1=O BB57-3772 [0,1,0,1,0,0|1,0,0]=3 57 B8R1.5 CN1CCCNC1=O BB58-3630 [0,1,0,1,0,0|2,0,0]=4 58 B8R1.5 NC1CCCNC1=O BB01-4609 [0,1,0,1,0,0|2,0,0]=4 59 B8R1.7 O=C(O)C1CC=CC1 BB01-7889 [0,1,0,1,0,0|0,0,1]=3 60 B8R1.7 O=C(O)C1CCOC1 BB58-1384 [0,1,0,1,0,0|0,0,0]=2 61 B8R1.7 O=C(O)C1CSCN1 BB57-0213 [0,1,0,1,0,0|1,0,0]=3 62 B8R1.11 O=C1CCCN1CO BB58-4363 [0,1,0,1,0,0|2,0,0]=4 63 B8R1.63 N#CC1(C(=O)O)CC1 BB01-1063 [0,1,0,1,0,0|0,0,1]=3