0 B7R0.5 CCNC(C)C(N)=O BB58-3590 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.5 CCOC(=O)C(=O)[O-] BB58-2852 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.5 NCCC(N)C(=O)O BB57-6108 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.5 O=C(Cl)C(Br)CCBr BB58-1369 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.1 CCCC(O)C#N BB58-1313 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.3 CC(CN)C(=O)O BB58-0275 [1,0,0,0,0,0|1,0,0]=2 6 B6R0.3 CCC(N)C(=O)O BB55-8838 [1,0,0,0,0,0|1,0,0]=2 7 B6R0.3 CON(C)C(C)=O BB20-1414 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.3 C\C=C(/Br)C(=O)O BB58-4520 [1,0,0,0,0,0|1,0,2]=4 9 B6R0.3 NCC(O)C(=O)O BB58-4543 [1,0,0,0,0,0|2,0,0]=3 10 B6R0.4 CC(=O)NCCN BB20-2208 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.4 CCNCC(=O)O BB20-0183 [1,0,0,0,0,0|1,0,0]=2 12 B6R0.4 O=CNCC(=O)O BB01-7318 [1,0,0,0,0,0|2,0,1]=4 13 B8R0.2 CCN(C)C(C)C(=O)O BB58-2807 [0,1,0,0,0,0|1,0,0]=2 14 B8R0.3 CCCC(N)C(=O)OC BB55-8831 [0,1,0,0,0,0|1,0,0]=2 15 B8R0.3 COC(=O)C(C)N=C=S BB55-7688 [0,1,0,0,0,0|2,0,1]=4 16 B8R0.8 CC(=O)C(C)CCC#N BB01-5869 [0,1,0,0,0,0|1,0,1]=3 17 B8R0.8 CCCCC(C)C(=O)O BB58-4619 [0,1,0,0,0,0|0,0,0]=1 18 B8R0.8 CCCNC(=O)C(=O)O BB55-4706 [0,1,0,0,0,0|1,0,1]=3 19 B8R0.8 CCCNC(C)C(C)C BB55-6529 [0,1,0,0,0,0|2,0,1]=4 20 B8R0.8 NCCCC(N)C(=O)O BB57-0193 [0,1,0,0,0,0|1,0,0]=2 21 B8R0.12 CCCC(C)(C)C(=O)O BB57-6787 [0,1,0,0,0,0|0,0,0]=1 22 B8R0.23 CC(C)NC(=O)C(=O)O BB55-4701 [0,1,0,0,0,0|2,0,1]=4 23 B8R1.5 CC1SCCNC1=O BB57-3772 [0,0,0,1,0,0|2,0,0]=3 24 B8R1.5 CN1CCCNC1=O BB58-3630 [0,0,0,1,0,0|2,0,0]=3 25 B8R1.5 NC1CCCNC1=O BB01-4609 [0,0,0,1,0,0|2,0,0]=3 26 B8R1.7 N=C(N)N1CCCC1 BB58-4298 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.7 NC(=S)N1CCCC1 BB55-6891 [0,0,0,1,0,0|2,1,0]=4 28 B8R1.7 O=C(O)C1CC=CC1 BB01-7889 [0,0,0,1,0,0|0,0,2]=3 29 B8R1.7 O=C(O)C1CCOC1 BB58-1384 [0,0,0,1,0,0|1,0,0]=2 30 B8R1.7 O=C(O)C1CSCN1 BB57-0213 [0,0,0,1,0,0|2,0,0]=3 31 B5R0.1 CCCC(=N)N BB01-7895 [2,0,0,0,0,0|2,0,0]=4 32 B5R0.2 CCCN=C=O BB58-3576 [2,0,0,0,0,0|1,0,1]=4 33 B5R0.5 CC(C)C(N)=O BB01-6147 [2,0,0,0,0,0|1,0,0]=3 34 B5R0.5 CC(C)C(N)=S BB01-7896 [2,0,0,0,0,0|1,1,0]=4 35 B7R0.2 CC(C)CC(N)CO BB20-2191 [1,1,0,0,0,0|1,0,1]=4 36 B7R0.3 CC(CO)CCCO BB58-5344 [1,1,0,0,0,0|0,0,1]=3 37 B7R0.3 CCCNC(C)CC BB57-3735 [1,1,0,0,0,0|1,0,1]=4 38 B7R0.3 CSCCC(N)CO BB01-7854 [1,1,0,0,0,0|1,0,1]=4 39 B7R0.10 CCC(C)C(N)CO BB01-5326 [1,1,0,0,0,0|1,0,1]=4 40 B7R0.4 C=C(C)CCCCC BB58-4377 [1,1,0,0,0,0|2,0,0]=4 41 B7R0.4 CC(=O)CCCCCl BB57-6752 [1,1,0,0,0,0|1,0,0]=3 42 B7R0.4 CC(=O)NCCCBr BB58-5163 [1,1,0,0,0,0|2,0,0]=4 43 B7R0.4 CC(=O)NCCCCl BB58-5165 [1,1,0,0,0,0|2,0,0]=4 44 B7R0.4 CCCCOC(=S)[S-] BB55-6492 [1,1,0,0,0,0|0,2,0]=4 45 B7R0.4 CCOCCC(=O)O BB57-3742 [1,1,0,0,0,0|0,0,0]=2 46 B7R0.4 CNCCCC(=O)O BB58-0143 [1,1,0,0,0,0|0,0,0]=2 47 B7R0.6 CC(=O)CCN(C)C BB55-6125 [1,1,0,0,0,0|2,0,0]=4 48 B7R0.6 CC(=O)NCC(=O)O BB01-2573 [1,1,0,0,0,0|1,0,1]=4 49 B7R0.6 CC(C)OCC(=O)O BB55-5141 [1,1,0,0,0,0|1,0,0]=3 50 B7R0.8 CCCCS(=O)(=O)Cl BB01-8371 [1,1,0,0,0,0|1,0,1]=4 51 B9R0.4 CCCCC(N)CC(=O)O BB57-0288 [0,1,0,0,0,1|1,0,0]=3 52 B9R0.53 CC(C)CC(N)CC(=O)O BB57-0289 [0,1,0,0,0,1|1,0,0]=3 53 B9R0.8 CCCCN(C)C(=O)CCl BB01-1058 [0,2,0,0,0,0|2,0,0]=4 54 B9R0.7 CC(C)CNC(=O)C(=O)O BB57-0815 [0,2,0,0,0,0|1,0,1]=4 55 B9R0.7 C[S+](C)CC[C@H](N)C(=O)O BB55-8164 [0,2,0,0,0,0|1,0,0]=3 56 B9R0.42 CC(NC(=O)CN)C(=O)O BB58-4661 [0,2,0,0,0,0|1,0,1]=4 57 B9R0.42 CCC(C)NC(=O)C(=O)O BB55-4719 [0,2,0,0,0,0|1,0,1]=4 58 B9R0.15 CCCC(CCC)C(=O)Cl BB20-1580 [0,2,0,0,0,0|1,0,0]=3 59 B9R0.39 CCC(NC(C)=O)C(=O)O BB57-4742 [0,2,0,0,0,0|1,0,1]=4 60 B9R0.57 CC(NS(C)(=O)=O)C(=O)O BB55-6919 [0,2,0,0,0,0|2,0,0]=4 61 B7R1.1 OCC1CCCN1 BB01-5343 [1,0,0,1,0,0|1,0,1]=4 62 B7R1.1 OC[C@H]1CCCO1 BB31-4654 [1,0,0,1,0,0|1,0,1]=4 63 B7R1.22 CNC(C)C1CC1 BB55-6218 [1,0,0,1,0,0|2,0,0]=4 64 B7R1.20 O=C(O)CC1CC1 BB57-3745 [1,0,0,1,0,0|0,0,0]=2 65 B9R1.13 O=C(Cl)CC1CCCC1 BB20-1616 [0,0,0,1,0,1|1,0,0]=3 66 B9R1.5 NC1CCCCNC1=O BB57-3738 [0,1,0,1,0,0|2,0,0]=4 67 B9R1.5 O=C1NCCCCC1Br BB58-3108 [0,1,0,1,0,0|2,0,0]=4 68 B9R1.11 CNC(=O)C1CCNC1 BB58-3620 [0,1,0,1,0,0|2,0,0]=4 69 B9R1.11 COC(=O)C1CCCN1 BB58-4127 [0,1,0,1,0,0|1,0,0]=3 70 B9R1.11 O=C(CCl)N1CCCC1 BB01-6299 [0,1,0,1,0,0|2,0,0]=4 71 B9R1.69 CC1CNC(=O)N(C)C1 BB58-3643 [0,1,0,1,0,0|2,0,0]=4 72 B9R1.6 NC(=O)C1CCCNC1 BB58-0148 [0,1,0,1,0,0|1,0,0]=3 73 B9R1.6 NC(=O)C1CCNCC1 BB57-6677 [0,1,0,1,0,0|1,0,0]=3 74 B9R1.6 NC(=O)N1CCOCC1 BB57-5065 [0,1,0,1,0,0|2,0,0]=4 75 B9R1.6 O=C(O)C1CCCCC1 BB01-5902 [0,1,0,1,0,0|0,0,0]=2 76 B9R1.6 O=C(O)C1CCOCC1 BB01-8327 [0,1,0,1,0,0|0,0,0]=2 77 B9R1.6 O=C(O)C1CNCCN1 BB01-8283 [0,1,0,1,0,0|1,0,0]=3 78 B9R1.6 O=C(O)C1SCCCS1 BB58-0269 [0,1,0,1,0,0|1,0,0]=3 79 B9R1.35 O=C(O)C1CC(O)CN1 BB57-0232 [0,1,0,1,0,0|1,0,0]=3 80 B9R1.35 O=C1CCC(C(=O)O)C1 BB01-6440 [0,1,0,1,0,0|0,0,1]=3 81 B9R1.40 CC1(C)NCCNC1=O BB01-5721 [0,1,0,1,0,0|2,0,0]=4 82 B9R1.40 O=C1NCCCC1(Br)Br BB58-2907 [0,1,0,1,0,0|2,0,0]=4 83 B9R1.169 CC1(C(=O)O)CC1(Cl)Cl BB58-0151 [0,1,0,1,0,0|1,0,0]=3