0 B6R0.2 C(C(=O)O)C(=O)O A2Z00038640 [0,0,0,0,0,0|4,0,0]=4 1 B6R0.2 CC(=C[N+](=O)[O-])C A2Z00094964 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.2 C\C(=C\[N+](=O)[O-])\[O-] A2Z00050356 [0,0,0,0,0,0|4,0,0]=4 3 B5R0.1 CC(=O)CCN A2Z00069826 [1,0,0,0,0,0|2,0,1]=4 4 B5R0.1 CCCC(=O)O A2Z00093490 [1,0,0,0,0,0|2,0,1]=4 5 B5R0.1 CNCC(=O)O A2Z00095987 [1,0,0,0,0,0|3,0,0]=4 6 B5R0.1 COCC(=O)Cl A2Z00094312 [1,0,0,0,0,0|3,0,0]=4 7 B7R0.2 CC(=O)CC(=O)OC A2Z00093511 [0,1,0,0,0,0|2,0,0]=3 8 B7R0.2 CC(C)NC(=O)CCl A2Z00099276 [0,1,0,0,0,0|1,0,2]=4 9 B7R0.2 CC(CO)NC(=O)C A2Z00047992 [0,1,0,0,0,0|1,0,2]=4 10 B7R0.2 COC(=O)CC(=O)Cl A2Z00050191 [0,1,0,0,0,0|3,0,0]=4 11 B7R1.2 C1C(=O)N=C(S1)N A2Z00096085 [0,0,0,1,0,0|3,0,0]=4 12 B7R1.2 C1C(=O)N=C(S1)O A2Z00096716 [0,0,0,1,0,0|3,0,0]=4 13 B7R1.2 C1C(=O)NC(=N)S1 A2Z00096693 [0,0,0,1,0,0|3,0,0]=4 14 B7R1.2 C1C(=O)NC(=O)S1 A2Z00014660 [0,0,0,1,0,0|3,0,0]=4 15 B7R1.2 C1CC(=O)OC1O A2Z00096558 [0,0,0,1,0,0|1,0,1]=3 16 B7R1.2 CC1=CC(=O)CC1 A2Z00096078 [0,0,0,1,0,0|1,0,1]=3 17 B7R1.2 CC1CNC(=O)O1 A2Z00096651 [0,0,0,1,0,0|1,0,2]=4 18 B7R1.2 Cc1cc(sc1)Br A2Z00050301 [0,0,0,1,0,0|2,1,0]=4 19 B7R1.2 Cc1csc(n1)N A2Z00097948 [0,0,0,1,0,0|2,1,0]=4 20 B7R1.2 Cc1csc(n1)O A2Z00096157 [0,0,0,1,0,0|2,0,1]=4 21 B7R1.2 Cc1nnc(s1)C A2Z00095539 [0,0,0,1,0,0|2,1,0]=4 22 B7R1.2 c1c([nH]c(=O)s1)O A2Z00096718 [0,0,0,1,0,0|3,0,0]=4 23 B5R0.5 CC(=O)N(C)N A2Z00094878 [0,0,0,0,1,0|2,0,0]=3 24 B5R0.5 CC(C(=O)C)Cl A2Z00093500 [0,0,0,0,1,0|1,0,1]=3 25 B5R0.5 CC(C(=O)N)Cl A2Z00098040 [0,0,0,0,1,0|2,0,1]=4 26 B5R0.5 CN(C)C(=O)Cl A2Z00096010 [0,0,0,0,1,0|2,0,1]=4 27 B7R0.6 CC(=O)\C=C\N(C)C A2Z00096534 [0,0,0,0,0,1|2,0,1]=4 28 B7R0.6 CC(C)COC(=O)Cl A2Z00093541 [0,0,0,0,0,1|1,0,2]=4 29 B4R0.1 CC(=O)CO A2Z00094832 [2,0,0,0,0,0|1,0,1]=4 30 B4R0.1 CCC(=O)N A2Z00097941 [2,0,0,0,0,0|1,0,1]=4 31 B4R0.1 COC(=O)Cl A2Z00093492 [2,0,0,0,0,0|1,0,0]=3 32 B6R0.1 CCOC(=O)C#N A2Z00096059 [1,1,0,0,0,0|0,0,2]=4 33 B6R0.1 CCOC(=O)CBr A2Z00093566 [1,1,0,0,0,0|0,0,1]=3 34 B6R0.1 CCOC(=O)NN A2Z00096080 [1,1,0,0,0,0|1,0,1]=4 35 B6R0.4 C=CCOC(=O)Cl A2Z00093512 [1,1,0,0,0,0|1,0,0]=3 36 B6R0.4 CC(=O)CCCCl A2Z00094593 [1,1,0,0,0,0|1,0,1]=4 37 B6R0.4 CC(=O)OCC#C A2Z00096305 [1,1,0,0,0,0|0,0,2]=4 38 B6R0.4 CC(=O)OCCBr A2Z00098196 [1,1,0,0,0,0|0,0,1]=3 39 B6R0.4 CC(=O)\C=C\OC A2Z00096533 [1,1,0,0,0,0|1,0,0]=3 40 B6R0.5 CS(=O)(=O)CC=C A2Z00069959 [1,1,0,0,0,0|2,0,0]=4 41 B8R0.19 COC(=O)CC(=C)C#N A2Z00049741 [0,2,0,0,0,0|1,0,1]=4 42 B8R0.24 CC(C)(C)OC(=O)CBr A2Z00096128 [0,2,0,0,0,0|0,0,2]=4 43 B6R1.2 C1CC(=O)C=C1 A2Z00096072 [1,0,0,1,0,0|1,0,0]=3 44 B6R1.2 C1CC(=O)OC1 A2Z00038638 [1,0,0,1,0,0|0,0,1]=3 45 B6R1.2 C1CNCC1=O A2Z00050357 [1,0,0,1,0,0|2,0,0]=4 46 B6R1.2 C1COC(=O)N1 A2Z00096076 [1,0,0,1,0,0|1,0,1]=4 47 B6R1.2 Cc1cscn1 A2Z00097343 [1,0,0,1,0,0|1,1,0]=4 48 B8R1.51 CC1(CC(=O)OC1)C A2Z00096652 [0,0,0,1,0,1|0,0,2]=4 49 B8R1.1 Cc1cnc(o1)C=O A2Z00050355 [0,1,0,1,0,0|1,0,0]=3 50 B8R1.1 Cc1cnc(o1)CN A2Z00046154 [0,1,0,1,0,0|1,0,0]=3 51 B8R1.1 Cc1cnc(o1)CO A2Z00096381 [0,1,0,1,0,0|1,0,0]=3 52 B8R1.1 Cc1cnc(s1)CN A2Z00061623 [0,1,0,1,0,0|1,1,0]=4 53 B8R1.1 Cc1csc(n1)CN A2Z00061548 [0,1,0,1,0,0|1,1,0]=4 54 B8R1.1 Cc1nc(cs1)CN A2Z00073814 [0,1,0,1,0,0|1,1,0]=4 55 B8R1.1 Cc1nnc(o1)CN A2Z00046143 [0,1,0,1,0,0|2,0,0]=4 56 B8R1.1 c1cc(oc1C=O)I A2Z00064077 [0,1,0,1,0,0|1,0,1]=4 57 B8R1.4 C1CNC(=O)CC1=O A2Z00096248 [0,1,0,1,0,0|2,0,0]=4 58 B8R1.4 Cc1cc(ncn1)C A2Z00094992 [0,1,0,1,0,0|2,0,0]=4 59 B8R1.4 Cc1cc[nH]c(=O)c1 A2Z00069805 [0,1,0,1,0,0|1,0,1]=4 60 B8R1.18 CC1=NN(C(=O)C1)C A2Z00096083 [0,1,0,1,0,0|2,0,0]=4 61 B8R1.18 Cc1c(oc(n1)O)C A2Z00050506 [0,1,0,1,0,0|1,0,1]=4