0 B6R0.4 CC(C)CCCO BB0268266 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.4 CCOC[C@H](C)N BB0220579 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 CCCC(=N)N BB0263076 [1,0,0,0,0,0|2,0,0]=3 3 B5R0.1 C\C=C\C(N)=O BB0256989 [1,0,0,0,0,0|1,0,2]=4 4 B5R0.2 C=CCCCN BB0270548 [1,0,0,0,0,0|2,0,0]=3 5 B7R0.2 CC[C@H](C)CC(C)=O BB0263047 [0,1,0,0,0,0|1,0,0]=2 6 B7R0.3 CCOCC(=O)NN BB0289859 [0,1,0,0,0,0|2,0,0]=3 7 B7R0.3 CCOC[C@@H](O)CN BB0269939 [0,1,0,0,0,0|2,0,1]=4 8 B7R0.3 CNCCC(=O)NC BB0216483 [0,1,0,0,0,0|2,0,0]=3 9 B7R0.3 CNCCC(=O)NC BB0293246 [0,1,0,0,0,0|2,0,0]=3 10 B7R0.3 NNC(=O)CCCO BB0267762 [0,1,0,0,0,0|2,0,0]=3 11 B7R0.4 CCCCNC(C)C BB0290025 [0,1,0,0,0,0|2,0,1]=4 12 B7R0.5 O=C(Cl)[C@@H](Br)CCBr BB0269494 [0,1,0,0,0,0|2,0,0]=3 13 B7R0.6 CC(=O)CCN(C)C BB0237343 [0,1,0,0,0,0|2,0,0]=3 14 B7R1.2 N[C@@H]1CNC(=O)C1 BB0270359 [0,0,0,1,0,0|3,0,0]=4 15 B7R1.3 O=C1CCCNC1 BB0253437 [0,0,0,1,0,0|2,0,0]=3 16 B7R1.3 O=C1CCOCC1 BB0268418 [0,0,0,1,0,0|2,0,0]=3 17 B7R1.3 O=C1CNCCN1 BB0218076 [0,0,0,1,0,0|2,0,0]=3 18 B7R1.3 O=C1COCCN1 BB0261379 [0,0,0,1,0,0|2,0,0]=3 19 B7R1.3 O[C@H]1CCCNC1 BB0268278 [0,0,0,1,0,0|2,0,1]=4 20 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F BB0260288 [0,0,0,1,0,0|1,0,0]=2 21 B7R1.18 N=C(N)C1CCC1 BB0263077 [0,0,0,1,0,0|2,0,0]=3 22 B7R1.18 O=C(O)C1=CCC1 BB0262190 [0,0,0,1,0,0|0,0,2]=3 23 B7R1.18 O=C(O)C1CCC1 BB0269490 [0,0,0,1,0,0|0,0,0]=1 24 B4R0.1 CCC(=N)N BB0263021 [2,0,0,0,0,0|2,0,0]=4 25 B4R0.1 NCC(=O)O BB0265974 [2,0,0,0,0,0|1,0,0]=3 26 B4R0.2 C=CCNC BB0263010 [2,0,0,0,0,0|1,0,1]=4 27 B4R0.2 CCCNN BB0220585 [2,0,0,0,0,0|2,0,0]=4 28 B4R0.2 COCCO BB0268028 [2,0,0,0,0,0|1,0,0]=3 29 B4R0.2 OCCCF BB0268117 [2,0,0,0,0,0|1,0,0]=3 30 B6R0.1 CCCC(=O)NN BB0240969 [1,1,0,0,0,0|1,0,0]=3 31 B6R0.1 CCNC(=O)CBr BB0258309 [1,1,0,0,0,0|2,0,0]=4 32 B6R0.2 CC(C)CB(O)O BB0272390 [1,1,0,0,0,0|1,0,1]=4 33 B6R0.2 CC(C)NC(N)=O BB0266031 [1,1,0,0,0,0|2,0,0]=4 34 B6R0.2 CN(C)CC(N)=O BB0258818 [1,1,0,0,0,0|2,0,0]=4 35 B6R0.3 CO[C@@H](C)C(N)=O BB0287968 [1,1,0,0,0,0|2,0,0]=4 36 B6R0.3 N[C@@H](CO)C(=O)O BB0282131 [1,1,0,0,0,0|1,0,0]=3 37 B6R0.3 N[C@@H](CS)C(=O)O BB0282130 [1,1,0,0,0,0|1,0,0]=3 38 B6R0.6 C#CCCCCO BB0266667 [1,1,0,0,0,0|0,0,2]=4 39 B8R0.5 CCOC(=O)CC(=O)O BB0265906 [0,2,0,0,0,0|0,0,1]=3 40 B8R0.5 CCOC(=O)CC(=O)[O-] BB0288802 [0,2,0,0,0,0|0,0,2]=4 41 B8R0.23 CC(C)O[C@@H](C)C(=O)[O-] BB0288238 [0,2,0,0,0,0|1,0,1]=4 42 B8R0.3 CCO[C@@H](C)C(=O)NN BB0289130 [0,2,0,0,0,0|2,0,0]=4 43 B8R0.6 CCCCCC(=O)NN BB0287140 [0,2,0,0,0,0|1,0,0]=3 44 B8R0.6 CCOCCC(=O)NN BB0288029 [0,2,0,0,0,0|1,0,0]=3 45 B8R0.6 COCCNC(=O)CBr BB0289506 [0,2,0,0,0,0|2,0,0]=4 46 B8R0.9 CC(C)OCC(=O)NN BB0289300 [0,2,0,0,0,0|2,0,0]=4 47 B8R0.9 COC(=O)CCC(=O)O BB0254379 [0,2,0,0,0,0|0,0,1]=3 48 B8R0.7 O=C(O)CCCCCBr BB0266279 [0,2,0,0,0,0|0,0,0]=2 49 B8R0.28 CC(C)COCC(N)=O BB0290237 [0,2,0,0,0,0|1,0,0]=3 50 B8R0.12 CCC[C@](C)(N)C(=O)O BB0268514 [0,2,0,0,0,0|0,0,0]=2 51 B8R0.15 CCO[C@@H](CC)C(N)=O BB0293017 [0,2,0,0,0,0|2,0,0]=4 52 B8R0.29 CC(C)(C)\C=C\C(=O)O BB0260174 [0,2,0,0,0,0|0,0,2]=4 53 B8R0.29 O=C(O)COC(F)(F)F BB0267213 [0,2,0,0,0,0|2,0,0]=4 54 B6R1.2 O=C1CCOC1 BB0268417 [1,0,0,1,0,0|2,0,0]=4 55 B6R1.11 N=C(N)C1CC1 BB0263079 [1,0,0,1,0,0|2,0,0]=4 56 B6R1.11 O=C(O)C1CC1 BB0269516 [1,0,0,1,0,0|0,0,0]=2 57 B6R1.11 OB(O)C1CC1 BB0268563 [1,0,0,1,0,0|1,0,1]=4 58 B6R1.6 OCC1CNC1 BB0262899 [1,0,0,1,0,0|1,0,1]=4 59 B8R1.1 O=C1C[C@H](CO)CN1 BB0259403 [0,1,0,1,0,0|2,0,0]=4 60 B8R1.1 O=C1N[C@@H](CO)CO1 BB0263376 [0,1,0,1,0,0|2,0,0]=4 61 B8R1.4 CN1CCCC(=O)C1 BB0267156 [0,1,0,1,0,0|1,0,0]=3 62 B8R1.4 CN1CCC[C@H](O)C1 BB0267157 [0,1,0,1,0,0|1,0,1]=4 63 B8R1.4 N[C@H]1CCCC(=O)C1 BB0268433 [0,1,0,1,0,0|1,0,0]=3 64 B8R1.31 CN1CC[C@H]1C(=O)O BB0262936 [0,1,0,1,0,0|0,0,0]=2 65 B8R1.34 O=C(O)CC1CCC1 BB0257709 [0,1,0,1,0,0|0,0,0]=2 66 B8R1.51 N[C@H]1CCS(=O)(=O)C1 BB0237347 [0,1,0,1,0,0|1,0,1]=4 67 B8R1.51 O=S1(=O)CC[C@H](O)C1 BB0269943 [0,1,0,1,0,0|1,0,1]=4 68 B8R1.2 N#CC1=CCCCC1 BB0267969 [0,1,0,1,0,0|2,0,0]=4 69 B8R1.2 NO[C@@H]1CCCCO1 BB0267447 [0,1,0,1,0,0|0,0,2]=4 70 B8R1.2 OC[C@H]1CCCCN1 BB0268049 [0,1,0,1,0,0|1,0,1]=4 71 B8R1.2 ON=C1CCCCC1 BB0284699 [0,1,0,1,0,0|1,0,0]=3 72 B8R1.3 O=C1CCC(=O)CC1 BB0269456 [0,1,0,1,0,0|1,0,1]=4 73 B8R1.5 CN1CCNCC1=O BB0220715 [0,1,0,1,0,0|2,0,0]=4 74 B8R1.5 CN1CCNCC1=O BB0287423 [0,1,0,1,0,0|2,0,0]=4 75 B8R1.5 C[C@@H]1NCCNC1=O BB0220748 [0,1,0,1,0,0|2,0,0]=4 76 B8R1.5 C[C@@H]1NCCNC1=O BB0292425 [0,1,0,1,0,0|2,0,0]=4 77 B8R1.7 O=C(O)[C@H]1CCOC1 BB0269525 [0,1,0,1,0,0|0,0,0]=2 78 B8R1.72 O=S1(=O)CCNCC1 BB0259349 [0,1,0,1,0,0|1,0,1]=4 79 B8R1.23 O=C1CC(C(=O)O)C1 BB0270244 [0,1,0,1,0,0|0,0,1]=3 80 B8R1.77 CC(=O)[C@H]1CC1(C)C BB0262909 [0,1,0,1,0,0|1,0,0]=3 81 B8R1.77 CC1(C)C[C@@H]1C(=O)O BB0261196 [0,1,0,1,0,0|0,0,0]=2