0 B6R0.2 C(C(=O)O)C(=O)O A2Z00038640 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.2 CC(=C[N+](=O)[O-])C A2Z00094964 [0,0,0,0,0,0|1,0,1]=2 2 B6R0.2 C\C(=C\[N+](=O)[O-])\[O-] A2Z00050356 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.1 C(C#N)C(=O)O A2Z00093469 [1,0,0,0,0,0|1,0,2]=4 4 B5R0.1 CCCC(=O)O A2Z00093490 [1,0,0,0,0,0|0,0,2]=3 5 B5R0.1 CNCC(=O)O A2Z00095987 [1,0,0,0,0,0|1,0,1]=3 6 B5R0.1 COCC(=O)Cl A2Z00094312 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.2 CC(=O)CC(=O)OC A2Z00093511 [0,1,0,0,0,0|1,0,1]=3 8 B7R0.2 CC(C)NC(=O)CCl A2Z00099276 [0,1,0,0,0,0|2,0,1]=4 9 B7R0.2 CC(CO)NC(=O)C A2Z00047992 [0,1,0,0,0,0|2,0,1]=4 10 B7R0.2 CCC(CC(=O)O)N A2Z00050458 [0,1,0,0,0,0|1,0,2]=4 11 B7R0.2 COC(=O)CC(=O)Cl A2Z00050191 [0,1,0,0,0,0|2,0,1]=4 12 B7R0.9 CC(C)(C)NC(=O)N A2Z00097411 [0,1,0,0,0,0|2,0,1]=4 13 B7R0.16 CC(C)C(=C)C(=O)O A2Z00049593 [0,1,0,0,0,0|0,0,1]=2 14 B7R1.2 C1C(=O)N=C(S1)O A2Z00096716 [0,0,0,1,0,0|2,1,0]=4 15 B7R1.2 C1C(=O)NC(=O)S1 A2Z00014660 [0,0,0,1,0,0|2,1,0]=4 16 B7R1.2 CC1=CC(=O)CC1 A2Z00096078 [0,0,0,1,0,0|1,0,0]=2 17 B7R1.2 CC1CNC(=O)O1 A2Z00096651 [0,0,0,1,0,0|2,0,1]=4 18 B7R1.2 Cc1cc([nH]n1)N A2Z00061676 [0,0,0,1,0,0|3,0,0]=4 19 B7R1.2 Cc1cc([nH]n1)O A2Z00096551 [0,0,0,1,0,0|2,0,0]=3 20 B7R1.2 Cc1cc(n[nH]1)N A2Z00050172 [0,0,0,1,0,0|3,0,0]=4 21 B7R1.2 Cc1cc(no1)N A2Z00085614 [0,0,0,1,0,0|3,0,0]=4 22 B7R1.2 Cc1cc(on1)N A2Z00095967 [0,0,0,1,0,0|2,0,0]=3 23 B7R1.2 Cc1cc(on1)[O-] A2Z00050433 [0,0,0,1,0,0|1,0,1]=3 24 B7R1.2 Cc1cc(sc1)Br A2Z00050301 [0,0,0,1,0,0|1,1,1]=4 25 B7R1.2 Cc1csc(n1)O A2Z00096157 [0,0,0,1,0,0|1,1,1]=4 26 B5R0.5 CC(=O)N(C)N A2Z00094878 [0,0,0,0,1,0|3,0,0]=4 27 B5R0.5 CC(C(=O)C)Cl A2Z00093500 [0,0,0,0,1,0|2,0,1]=4 28 B5R0.5 CC(C(=O)N)Cl A2Z00098040 [0,0,0,0,1,0|2,0,1]=4 29 B5R0.5 CN(C)C(=O)Cl A2Z00096010 [0,0,0,0,1,0|2,0,0]=3 30 B7R0.6 CC(=O)\C=C\N(C)C A2Z00096534 [0,0,0,0,0,1|2,0,0]=3 31 B7R0.6 CC(C)COC(=O)Cl A2Z00093541 [0,0,0,0,0,1|1,0,2]=4 32 B7R0.6 CC(C)SCC(=O)O A2Z00055812 [0,0,0,0,0,1|0,0,2]=3 33 B7R0.6 CN(C)CCC(=O)O A2Z00094718 [0,0,0,0,0,1|1,0,1]=3 34 B7R0.6 CN(C)\C=C\C(=S)N A2Z00057018 [0,0,0,0,0,1|2,1,0]=4 35 B7R0.6 CN(C)\C=C\[N+](=O)[O-] A2Z00096569 [0,0,0,0,0,1|2,0,1]=4 36 B4R0.1 CC(=O)CO A2Z00094832 [2,0,0,0,0,0|1,0,1]=4 37 B4R0.1 CCC(=O)N A2Z00097941 [2,0,0,0,0,0|1,0,1]=4 38 B4R0.1 COC(=O)Cl A2Z00093492 [2,0,0,0,0,0|2,0,0]=4 39 B6R0.3 CC(C)C(=O)CO A2Z00049695 [1,1,0,0,0,0|0,0,2]=4 40 B6R0.4 CC(=O)\C=C\OC A2Z00096533 [1,1,0,0,0,0|1,0,0]=3 41 B6R0.7 CC(C)(C(=O)N)Br A2Z00070347 [0,1,0,0,1,0|1,0,1]=4 42 B8R0.9 C(CC(=O)O)C(=O)CN A2Z00096158 [0,1,0,0,0,1|1,0,1]=4 43 B8R0.9 CCC(=O)NCC(=O)O A2Z00046377 [0,1,0,0,0,1|1,0,1]=4 44 B8R0.23 CC(=O)CC(C(=O)O)N A2Z00050345 [0,1,0,0,0,1|1,0,1]=4 45 B8R0.23 CC(C)C(CC(=O)O)O A2Z00049174 [0,1,0,0,0,1|0,0,2]=4 46 B8R0.2 CC(C(C(=O)O)Br)OC A2Z00049624 [0,2,0,0,0,0|0,0,2]=4 47 B8R0.5 CCC\C(=C\C(=O)O)\C A2Z00049558 [0,2,0,0,0,0|0,0,0]=2 48 B8R0.16 C(C(CN)CO)C(=O)O A2Z00050494 [0,2,0,0,0,0|0,0,2]=4 49 B6R1.2 C1CC(=O)C=C1 A2Z00096072 [1,0,0,1,0,0|1,0,0]=3 50 B6R1.2 C1CC(=O)OC1 A2Z00038638 [1,0,0,1,0,0|0,0,2]=4 51 B6R1.2 C1COC(=O)N1 A2Z00096076 [1,0,0,1,0,0|1,0,1]=4 52 B8R1.3 Cc1ccc(cc1)O A2Z00098041 [0,0,0,1,0,1|1,0,1]=4 53 B8R1.1 c1c([nH][nH]c1=O)CN A2Z00096246 [0,1,0,1,0,0|2,0,0]=4 54 B8R1.1 c1c([nH]nc1O)CN A2Z00096414 [0,1,0,1,0,0|2,0,0]=4 55 B8R1.4 Cc1cc(ncn1)O A2Z00094879 [0,1,0,1,0,0|1,0,1]=4 56 B8R1.4 Cc1cc[nH]c(=O)c1 A2Z00069805 [0,1,0,1,0,0|1,0,1]=4 57 B8R1.18 Cc1c(oc(n1)O)C A2Z00050506 [0,1,0,1,0,0|1,0,1]=4 58 B8R1.18 Cc1cc(n(n1)C)O A2Z00096295 [0,1,0,1,0,0|2,0,0]=4 59 B8R1.34 C1C(CO1)CC(=O)O A2Z00096243 [0,1,0,1,0,0|0,0,2]=4 60 B8R1.54 CC(C1CC1)C(=O)O A2Z00047916 [0,1,0,1,0,0|0,0,2]=4 61 B8R0.28 CC(=O)NCCC(=O)O A2Z00046392 [0,0,0,0,0,2|1,0,1]=4