0 B7R0.6 CC(=O)CCC(=O)O BC216409 [0,0,0,0,0,0|1,0,3]=4 1 B7R0.6 CC(=O)\C=C\C(=O)O BC214213 [0,0,0,0,0,0|1,0,1]=2 2 B7R0.6 CC(C)COC(=O)Cl BC226048 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.6 C[S+](C)CCC(=O)O BC215874 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.4 C(CC(=O)O)CBr BC219750 [1,0,0,0,0,0|1,0,2]=4 5 B6R0.4 C(CC(=O)O)CN BC204189 [1,0,0,0,0,0|1,0,2]=4 6 B6R0.4 C(\C=C\C(=O)O)O BC224091 [1,0,0,0,0,0|1,0,0]=2 7 B8R0.23 CC(C)CC(=O)C(=O)[O-] BC219743 [0,1,0,0,0,0|0,0,2]=3 8 B8R0.23 CC(C)C[C@@H](C(=O)O)N BC201485 [0,1,0,0,0,0|0,0,2]=3 9 B8R1.3 CC1CCC(=O)CC1 BC219613 [0,0,0,1,0,0|1,0,2]=4 10 B8R1.3 Cc1ccc(cn1)O BC213724 [0,0,0,1,0,0|2,0,1]=4 11 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N BC233488 [0,0,0,1,0,0|1,0,2]=4 12 B8R1.23 C1[C@@H](C[C@H]1C(=O)O)N BC670712 [0,0,0,1,0,0|1,0,2]=4 13 B8R1.77 CC1(C[C@@H]1C(=O)N)C BC205635 [0,0,0,1,0,0|1,0,2]=4 14 B6R0.2 CC(=CC(=O)O)C BC200231 [0,0,0,0,1,0|0,0,1]=2 15 B6R0.2 CC(C)CC(=O)O BC677309 [0,0,0,0,1,0|0,0,1]=2 16 B6R0.2 CC(CC(=O)O)N BC233414 [0,0,0,0,1,0|1,0,1]=3 17 B6R0.2 CC(CC(=O)O)N BC675902 [0,0,0,0,1,0|1,0,1]=3 18 B6R0.2 CC(OC(=O)C)Br BC650646 [0,0,0,0,1,0|3,0,0]=4 19 B6R0.2 CN(C)CC(=O)Cl BC252135 [0,0,0,0,1,0|2,0,1]=4 20 B6R0.2 C[C@@H](CC(=O)O)N BC227921 [0,0,0,0,1,0|1,0,1]=3 21 B6R0.2 C[C@H](CC(=O)O)N BC677178 [0,0,0,0,1,0|1,0,1]=3 22 B6R0.2 C\C(=C\C(=O)C)\[O-] BC213287 [0,0,0,0,1,0|2,0,1]=4 23 B6R0.2 C\C(=C\C(=O)C)\[O-] BC213310 [0,0,0,0,1,0|2,0,1]=4 24 B8R0.28 CC(C)CCNC(=O)C BC600079 [0,0,0,0,0,1|1,0,2]=4 25 B8R0.28 CN(C)C\C=C\C(=O)O BC225128 [0,0,0,0,0,1|1,0,0]=2 26 B5R0.1 C(CN)C(=O)O BC219368 [2,0,0,0,0,0|1,0,1]=4 27 B5R0.1 C(CS)C(=O)O BC226809 [2,0,0,0,0,0|1,0,1]=4 28 B5R0.1 CC(C)N=C=O BC226288 [2,0,0,0,0,0|1,0,1]=4 29 B5R0.1 CCOC(=O)Cl BC222115 [2,0,0,0,0,0|2,0,0]=4 30 B5R0.1 C\C=C\C(=O)O BC206359 [2,0,0,0,0,0|0,0,0]=2 31 B7R0.2 CC[C@@H](C)CC(=O)O BC223684 [1,1,0,0,0,0|0,0,2]=4 32 B7R0.2 CC[C@H](C)CC(=O)O BC676870 [1,1,0,0,0,0|0,0,2]=4 33 B7R0.2 CC[C@H](CC(=O)O)N BC227919 [1,1,0,0,0,0|0,0,2]=4 34 B7R0.3 COC(=O)\C=C\CBr BC203932 [1,1,0,0,0,0|1,0,0]=3 35 B7R0.4 C(CCBr)CC(=O)O BC220689 [1,1,0,0,0,0|0,0,2]=4 36 B7R0.5 CCOC(=O)C(=O)C BC676704 [1,1,0,0,0,0|2,0,0]=4 37 B7R0.9 CC(=O)OC(C)(C)C BC207665 [0,1,0,0,1,0|2,0,0]=4 38 B7R0.9 CC(C)(C)CC(=O)Cl BC679579 [0,1,0,0,1,0|1,0,1]=4 39 B7R0.9 CC(C)(C)CC(=O)O BC200722 [0,1,0,0,1,0|0,0,1]=3 40 B7R0.9 CC(C)(CC(=O)O)N BC680642 [0,1,0,0,1,0|0,0,1]=3 41 B7R0.16 C[C@H]([C@@H](C(=O)O)N)O BC676678 [0,1,0,0,1,0|1,0,1]=4 42 B7R0.16 C[C@H]([C@H](C(=O)O)N)O BC678605 [0,1,0,0,1,0|1,0,1]=4 43 B9R0.7 CC(C)CC[C@@H](C(=O)O)N BC679179 [0,1,0,0,0,1|0,0,2]=4 44 B9R0.7 CC(C)CC[C@H](C(=O)O)N BC679178 [0,1,0,0,0,1|0,0,2]=4 45 B9R0.53 CC(C)OC(=O)\C=C(\C)/N BC203968 [0,1,0,0,0,1|2,0,0]=4 46 B9R0.24 COC(=O)\C=C\C(=O)OC BC226892 [0,2,0,0,0,0|1,0,1]=4 47 B9R0.48 CCOC(=O)\C=C\N(C)C BC210095 [0,2,0,0,0,0|1,0,0]=3 48 B9R0.48 CCOC(=O)\C=C\N(C)C BC675422 [0,2,0,0,0,0|1,0,0]=3 49 B9R0.57 CC(C)(C)C[C@H](C(=O)O)N BC676889 [0,2,0,0,0,0|0,0,2]=4 50 B9R0.79 CC(C)[C@@H]([C@H](C(=O)O)N)O BC679186 [0,2,0,0,0,0|0,0,2]=4 51 B7R1.2 C1=CC(=O)OC1=O BC200750 [1,0,0,1,0,0|1,0,1]=4 52 B7R1.2 CC1=CCC(=O)O1 BC205542 [1,0,0,1,0,0|0,0,2]=4 53 B7R1.3 C1COC(=O)CO1 BC683885 [1,0,0,1,0,0|1,0,1]=4 54 B7R1.3 C1COC(=O)OC1 BC201342 [1,0,0,1,0,0|1,0,1]=4 55 B7R1.18 C1CN[C@@H]1C(=O)O BC201996 [1,0,0,1,0,0|1,0,1]=4 56 B7R1.18 C1COC1C(=O)O BC653175 [1,0,0,1,0,0|1,0,1]=4 57 B7R1.20 C1CC1CC(=O)O BC205620 [1,0,0,1,0,0|0,0,2]=4 58 B9R1.35 C1[C@H](C=C[C@@H]1N)C(=O)O BC638831 [0,0,0,1,0,1|1,0,0]=3 59 B9R1.35 Cc1[nH]cc(n1)C(=O)O BC679140 [0,0,0,1,0,1|1,0,1]=4 60 B9R1.35 Cc1ccc(s1)C(=O)O BC213236 [0,0,0,1,0,1|1,0,1]=4 61 B9R1.35 Cc1cnc(s1)C(=O)O BC675563 [0,0,0,1,0,1|1,0,1]=4 62 B9R1.35 Cc1csc(n1)C(=O)O BC675561 [0,0,0,1,0,1|1,0,1]=4 63 B9R1.35 Cc1nc(co1)C(=O)O BC203608 [0,0,0,1,0,1|1,0,1]=4 64 B9R1.35 Cc1ncc(s1)C(=O)O BC681903 [0,0,0,1,0,1|1,0,1]=4 65 B9R1.35 Cn1cc(nc1)C(=O)O BC219620 [0,0,0,1,0,1|1,0,1]=4 66 B9R1.35 Cn1cnc(n1)C(=O)O BC256926 [0,0,0,1,0,1|2,0,0]=4 67 B9R1.38 CC1(C(=O)NC(=O)N1)C BC675269 [0,1,0,1,0,0|2,0,0]=4 68 B5R0.5 CC(=C)C(=O)O BC675577 [0,0,0,0,2,0|0,0,2]=4 69 B5R0.5 CC(=O)C(=O)O BC216002 [0,0,0,0,2,0|1,0,1]=4 70 B5R0.5 CC(=O)N(C)C BC204203 [0,0,0,0,2,0|2,0,0]=4 71 B5R0.5 CC(C(=O)C)Br BC202460 [0,0,0,0,2,0|2,0,0]=4 72 B5R0.5 CC(C(=O)O)Br BC226871 [0,0,0,0,2,0|1,0,0]=3 73 B5R0.5 CC(C)N(=O)=O BC224337 [0,0,0,0,2,0|1,0,1]=4 74 B5R0.5 C[C@@H](C(=O)N)N BC678137 [0,0,0,0,2,0|2,0,0]=4 75 B5R0.5 C[C@@H](C(=O)O)N BC677968 [0,0,0,0,2,0|1,0,0]=3 76 B5R0.5 C[C@@H](C(=O)O)O BC207702 [0,0,0,0,2,0|1,0,0]=3