0 B7R0.6 C(C(=O)O)=CC(=O)O CS-W016599 [0,0,0,0,0,0|4,0,0]=4 1 B7R0.6 CC(=O)CCC(=O)O CS-0015813 [0,0,0,0,0,0|4,0,0]=4 2 B7R0.6 CC(=O)CCC(C)=O CS-D1203 [0,0,0,0,0,0|4,0,0]=4 3 B7R0.6 CC(=O)CNC(C)=O CS-0154040 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.6 CC(=O)NCC(=O)O CS-W020121 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.6 CC(=O)NNC(N)=S CS-0153946 [0,0,0,0,0,0|1,1,2]=4 6 B7R0.6 CC(=O)OCC(=O)O CS-0155005 [0,0,0,0,0,0|4,0,0]=4 7 B7R0.6 CC(=O)OCC(N)=S CS-0248602 [0,0,0,0,0,0|3,1,0]=4 8 B7R0.6 CC(=O)SCC(=O)O CS-0083252 [0,0,0,0,0,0|4,0,0]=4 9 B7R0.6 CC(=O)\C=C\C(=O)O CS-0155153 [0,0,0,0,0,0|4,0,0]=4 10 B7R0.6 N=C(N)NCC(=O)O CS-0040590 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.6 NC(=O)CCC(N)=O CS-0204735 [0,0,0,0,0,0|2,0,0]=2 12 B7R0.6 NC(=O)NCC(=O)O CS-0204817 [0,0,0,0,0,0|2,0,1]=3 13 B7R0.6 NC(=O)\C=C\C(N)=O CS-0179365 [0,0,0,0,0,0|2,0,0]=2 14 B7R0.6 NC(=S)NNC(N)=S CS-W016323 [0,0,0,0,0,0|0,2,2]=4 15 B7R0.6 O=C(O)C#CC(=O)O CS-0020047 [0,0,0,0,0,0|4,0,0]=4 16 B7R0.6 O=C(O)CCC(=O)O CS-0008946 [0,0,0,0,0,0|4,0,0]=4 17 B7R0.6 O=C(O)CCC(=O)O CS-0966740 [0,0,0,0,0,0|4,0,0]=4 18 B7R0.6 O=C(O)\C=C\C(=O)O CS-0158509 [0,0,0,0,0,0|4,0,0]=4 19 B7R0.6 O=C([O-])CCC(=O)[O-] CS-0158417 [0,0,0,0,0,0|4,0,0]=4 20 B7R0.6 O=C([O-])\C=C\C(=O)[O-] CS-0013603 [0,0,0,0,0,0|4,0,0]=4 21 B6R0.4 C=CCNC(N)=O CS-0197283 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.4 NCCCC(N)=O CS-0103894 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.4 NCCNC(N)=O CS-0139236 [1,0,0,0,0,0|1,0,2]=4 24 B6R0.4 O=CNCC(=O)O CS-0102520 [1,0,0,0,0,0|2,0,1]=4 25 B8R0.9 C=CC(=O)NCC(N)=O CS-0109691 [0,1,0,0,0,0|2,0,1]=4 26 B8R0.9 CNC(=O)CNC(C)=O CS-0277639 [0,1,0,0,0,0|2,0,1]=4 27 B8R0.9 COC(=O)CCC(N)=O CS-0453315 [0,1,0,0,0,0|3,0,0]=4 28 B8R0.9 NCC(=O)CCC(=O)O CS-2575 [0,1,0,0,0,0|3,0,0]=4 29 B8R0.9 NCC(=O)NCC(=O)O CS-0015211 [0,1,0,0,0,0|2,0,1]=4 30 B8R0.23 CN(CC(=O)O)C(N)=O CS-0067086 [0,1,0,0,0,0|2,0,1]=4 31 B8R0.23 NC(=O)CC(N)C(=O)O CS-0188414 [0,1,0,0,0,0|3,0,0]=4 32 B8R0.23 NC(=O)CC(N)C(=O)O CS-W018158 [0,1,0,0,0,0|3,0,0]=4 33 B8R0.23 NC(=O)C[C@@H](N)C(=O)O CS-W011094 [0,1,0,0,0,0|3,0,0]=4 34 B8R0.23 NC(=O)C[C@@H](N)C(=O)O CS-W018160 [0,1,0,0,0,0|3,0,0]=4 35 B8R0.23 NC(=O)C[C@H](N)C(=O)O CS-0009702 [0,1,0,0,0,0|3,0,0]=4 36 B8R0.23 NC(=O)C[C@H](N)C(N)=O CS-0207571 [0,1,0,0,0,0|2,0,0]=3 37 B8R0.23 NC(=O)[C@H](N)CC(=O)O CS-0449242 [0,1,0,0,0,0|3,0,0]=4 38 B8R1.3 CC1=CNC(=O)C=N1 CS-W008795 [0,0,0,1,0,0|3,0,0]=4 39 B8R1.3 CC1=CNC(=O)N=C1 CS-0021071 [0,0,0,1,0,0|3,0,0]=4 40 B8R1.3 CC1=NN=C(N)C=C1 CS-W002791 [0,0,0,1,0,0|3,0,0]=4 41 B8R1.3 NC1=CC=C(N)N=N1 CS-W018954 [0,0,0,1,0,0|2,0,0]=3 42 B8R1.3 NC1=CN=C(N)C=N1 CS-0019308 [0,0,0,1,0,0|3,0,0]=4 43 B8R1.3 NC1=CN=C(N)N=C1 CS-0019001 [0,0,0,1,0,0|3,0,0]=4 44 B8R1.3 NC1=CNC(=O)C=C1 CS-W009167 [0,0,0,1,0,0|3,0,0]=4 45 B8R1.3 NC1=NC=C(Br)N=N1 CS-0028230 [0,0,0,1,0,0|3,0,0]=4 46 B8R1.3 NC1=NN=C(Br)C=C1 CS-D1644 [0,0,0,1,0,0|3,0,0]=4 47 B8R1.3 NC1=NN=C(Cl)C=C1 CS-W019657 [0,0,0,1,0,0|3,0,0]=4 48 B8R1.3 NC1=NN=C(F)C=C1 CS-0054088 [0,0,0,1,0,0|3,0,0]=4 49 B8R1.3 NC1=NN=C(I)C=C1 CS-0046182 [0,0,0,1,0,0|3,0,0]=4 50 B8R1.3 NC1=NNC(=O)C=C1 CS-W018951 [0,0,0,1,0,0|2,0,1]=4 51 B8R1.3 O=C1C=NC(Br)=CN1 CS-W003277 [0,0,0,1,0,0|3,0,0]=4 52 B8R1.3 O=C1C=NC(Cl)=CN1 CS-W019738 [0,0,0,1,0,0|3,0,0]=4 53 B8R1.3 O=C1CNC(=O)CN1 CS-0046695 [0,0,0,1,0,0|2,0,1]=4 54 B8R1.3 O=C1N=CC(Br)=CN1 CS-D1143 [0,0,0,1,0,0|3,0,0]=4 55 B8R1.3 O=C1N=CC(Cl)=CN1 CS-W022366 [0,0,0,1,0,0|3,0,0]=4 56 B8R1.3 O=C1N=CC(F)=CN1 CS-W008541 [0,0,0,1,0,0|3,0,0]=4 57 B8R1.3 O=C1N=CC(I)=CN1 CS-W022398 [0,0,0,1,0,0|3,0,0]=4 58 B8R1.23 O=C1CC(C(=O)O)N1 CS-W019929 [0,0,0,1,0,0|3,0,0]=4 59 B8R1.23 O=C1C[C@@H](C(=O)O)N1 CS-W013626 [0,0,0,1,0,0|3,0,0]=4 60 B6R0.2 CC(=O)CC(N)=O CS-0134202 [0,0,0,0,1,0|2,0,0]=3 61 B6R0.2 CC(=O)[CH-]C(C)=O CS-0196895 [0,0,0,0,1,0|3,0,0]=4 62 B6R0.2 C\C(O)=N\C(=N)N CS-W007823 [0,0,0,0,1,0|2,0,1]=4 63 B6R0.2 N=C(N)CC(N)=O CS-W018503 [0,0,0,0,1,0|2,0,0]=3 64 B6R0.2 N=C(N)NC(=N)N CS-0078925 [0,0,0,0,1,0|2,0,1]=4 65 B6R0.2 N=C(N)NC(N)=O CS-0128792 [0,0,0,0,1,0|1,0,1]=3 66 B6R0.2 NC(=O)CC(=O)O CS-0149950 [0,0,0,0,1,0|2,0,0]=3 67 B6R0.2 NC(=O)CC(N)=O CS-W011312 [0,0,0,0,1,0|1,0,0]=2 68 B6R0.2 NC(=O)NC(N)=O CS-W016643 [0,0,0,0,1,0|0,0,1]=2 69 B6R0.2 O=C(O)[Ca]C(=O)O CS-0160132 [0,0,0,0,1,0|3,0,0]=4 70 B8R0.28 NC(=O)CCCC(N)=O CS-0012581 [0,0,0,0,0,1|2,0,0]=3 71 B8R0.28 NC(=O)COCC(=O)O CS-0318293 [0,0,0,0,0,1|3,0,0]=4 72 B8R0.28 NC(=O)NCCC(=O)O CS-0059512 [0,0,0,0,0,1|2,0,1]=4 73 B7R0.16 NC(=O)C(N)C(N)=O CS-M1513 [0,1,0,0,1,0|1,0,0]=3 74 B9R0.24 NNC(=O)CCC(=O)NN CS-0149895 [0,2,0,0,0,0|2,0,0]=4 75 B7R1.2 CC1=NN=C(N)N1 CS-W019573 [1,0,0,1,0,0|1,0,0]=3 76 B7R1.2 CC1=NN=C(N)S1 CS-0076370 [1,0,0,1,0,0|1,1,0]=4 77 B7R1.2 NC1=CC(N)=NN1 CS-0060291 [1,0,0,1,0,0|1,0,1]=4 78 B7R1.2 NC1=NN=C(Br)S1 CS-W008052 [1,0,0,1,0,0|1,1,0]=4 79 B7R1.2 NC1=NN=C(Cl)N1 CS-0438158 [1,0,0,1,0,0|1,0,0]=3 80 B7R1.2 NC1=NN=C(Cl)N1 CS-0651636 [1,0,0,1,0,0|1,0,0]=3 81 B7R1.2 NC1=NN=C(N)N1 CS-W016656 [1,0,0,1,0,0|1,0,0]=3 82 B7R1.2 NC1=NN=C(N)S1 CS-0107893 [1,0,0,1,0,0|0,1,0]=3 83 B7R1.2 NC1=NNC(=O)N1 CS-0018771 [1,0,0,1,0,0|0,0,1]=3 84 B7R1.2 NC1=NNC(=S)N1 CS-B1269 [1,0,0,1,0,0|0,1,1]=4 85 B7R1.2 O=C1C=CC(=O)N1 CS-W007324 [1,0,0,1,0,0|2,0,0]=4 86 B7R1.2 O=C1CCC(=O)N1 CS-0019112 [1,0,0,1,0,0|2,0,0]=4 87 B7R1.2 O=C1CNC(=O)N1 CS-W011328 [1,0,0,1,0,0|1,0,1]=4 88 B7R1.2 O=C1COC(=O)N1 CS-0005564 [1,0,0,1,0,0|2,0,0]=4 89 B7R1.2 O=C1CSC(=O)N1 CS-W019917 [1,0,0,1,0,0|2,0,0]=4 90 B7R1.3 N=C1N=NC=CN1 CS-W004843 [1,0,0,1,0,0|2,0,0]=4 91 B7R1.3 NC1=NN=CC=C1 CS-D1151 [1,0,0,1,0,0|2,0,0]=4 92 B7R1.3 O=C1C=NC=CN1 CS-W013733 [1,0,0,1,0,0|2,0,0]=4 93 B7R1.3 O=C1N=CC=CN1 CS-0021072 [1,0,0,1,0,0|2,0,0]=4 94 B7R1.3 O=C1N=CC=CN1 CS-W002079 [1,0,0,1,0,0|2,0,0]=4 95 B9R1.35 NC(=O)C1=NN=C(Cl)S1 CS-0038406 [0,0,0,1,0,1|1,1,0]=4 96 B9R1.35 NC(=O)C1=NNC(N)=N1 CS-0040758 [0,0,0,1,0,1|1,0,1]=4 97 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 CS-0149998 [0,0,0,1,0,1|2,0,0]=4 98 B9R1.35 O=C(O)C1=NN=C(Br)N1 CS-0019283 [0,0,0,1,0,1|2,0,0]=4 99 B9R1.1 O=CC1=CNC(=O)N=C1 CS-0101862 [0,1,0,1,0,0|2,0,0]=4 100 B9R1.69 CC1=C(N)NC(=O)N=C1 CS-W008091 [0,1,0,1,0,0|2,0,0]=4 101 B9R1.69 NC1=CN=C(N)NC1=O CS-0045798 [0,1,0,1,0,0|2,0,0]=4 102 B9R1.69 NC1=NC=C(Br)NC1=O CS-0042789 [0,1,0,1,0,0|2,0,0]=4 103 B9R1.69 NC1=NNC(=O)NC1=O CS-0139685 [0,1,0,1,0,0|0,0,1]=3 104 B9R1.69 O=C1C=C(Br)C(=O)NN1 CS-W019421 [0,1,0,1,0,0|2,0,0]=4 105 B9R1.69 O=C1NN=C(Br)C(=O)N1 CS-W008459 [0,1,0,1,0,0|1,0,1]=4 106 B5R0.5 C=C(C)C(N)=O CS-0031911 [0,0,0,0,2,0|2,0,0]=4 107 B5R0.5 CC(=O)C(=O)O CS-W020190 [0,0,0,0,2,0|2,0,0]=4 108 B5R0.5 CC(=O)C(=O)[O-] CS-W014944 [0,0,0,0,2,0|2,0,0]=4 109 B5R0.5 CC(=O)[13C](=O)O CS-0514226 [0,0,0,0,2,0|2,0,0]=4 110 B5R0.5 CC(N)C(N)=O CS-0186552 [0,0,0,0,2,0|1,0,1]=4 111 B5R0.5 C[C@@H](N)C(N)=O CS-W005248 [0,0,0,0,2,0|1,0,1]=4 112 B5R0.5 C[C@@H](N)C(N)=O CS-W022738 [0,0,0,0,2,0|1,0,1]=4 113 B5R0.5 C[C@H](N)C(N)=O CS-0005782 [0,0,0,0,2,0|1,0,1]=4 114 B5R0.5 C[C@H](N)C(N)=O CS-0119942 [0,0,0,0,2,0|1,0,1]=4 115 B5R0.5 C[C@H](N)C(N)=O CS-0539407 [0,0,0,0,2,0|1,0,1]=4 116 B5R0.5 NC(=O)C(=O)O CS-W013748 [0,0,0,0,2,0|1,0,0]=3 117 B5R0.5 NC(=O)C(N)=O CS-W016676 [0,0,0,0,2,0|0,0,0]=2 118 B5R0.5 NC(=S)C(N)=S CS-W011204 [0,0,0,0,2,0|0,2,0]=4 119 B5R0.5 O=C(O)C(=O)O CS-0013716 [0,0,0,0,2,0|2,0,0]=4 120 B5R0.5 O=C(O)C(=O)O CS-0017264 [0,0,0,0,2,0|2,0,0]=4 121 B5R0.5 O=C(O)C(=O)O CS-0882464 [0,0,0,0,2,0|2,0,0]=4 122 B5R0.5 O=C(O)C(=O)O CS-W004907 [0,0,0,0,2,0|2,0,0]=4 123 B5R0.5 O=C([O-])C(=O)[O-] CS-0199246 [0,0,0,0,2,0|2,0,0]=4