0 B9R1.37 CC1=C(O)[C@H](C)OC1=O 91383 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.37 CC1=NN(C)C(N)=C1Cl AT25145 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.37 CC1=NN(C)C(O)=C1C AT14044 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.37 C[C@@H]1NC(=O)N(C)C1=O AT20207 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.37 C[C@@H]1NC(=O)N(C)C1=O AT20209 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.37 O=C1O[C@@H](Cl)C(Cl)=C1Cl AC5148 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.18 CC1=CC(I)=C(C)S1 CS2241 [1,0,0,0,0,0|1,1,1]=4 7 B8R1.18 CC1=NN(C)C(I)=C1 71879 [1,0,0,0,0,0|3,0,0]=4 8 B8R1.18 CC1=NN(C)C=C1N CL3439 [1,0,0,0,0,0|3,0,0]=4 9 B8R1.18 C[C@@H]1NC(=O)NC1=O A12693 [1,0,0,0,0,0|3,0,0]=4 10 B8R1.18 C[C@@H]1NC(=O)OC1=O FD21041 [1,0,0,0,0,0|3,0,0]=4 11 B8R1.18 C[C@@H]1NC(=O)OC1=O FD21044 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.18 C[C@@H]1NC(=S)NC1=O W17250 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.18 C[C@@H]1OC(=O)NC1=O D75118 [1,0,0,0,0,0|2,0,0]=3 14 B8R1.18 C[C@@H]1SC(=O)NC1=O D73569 [1,0,0,0,0,0|2,1,0]=4 15 B8R1.50 CC1=C(C)C(O)=NO1 AT21054 [1,0,0,0,0,0|2,0,1]=4 16 B8R1.50 CC1=C(Cl)C(N)=NO1 AT19795 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.50 CC1=NOC(C)=C1Cl D76793 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.50 O=C1CCC(Br)=C1I 97935 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.50 O=C1CCC(O)=C1F P19516 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.50 O=C1OCC(O)=C1Br D75457 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.256 CC1=C(C)C(CO)=C(C)O1 AT17490 [0,1,0,0,0,0|1,0,1]=3 22 B10R1.256 CC1=NN(C)C(C)=C1CO C15173 [0,1,0,0,0,0|3,0,0]=4 23 B8R1.25 NC1=C(O)C(=O)C1=O AT20480 [0,0,0,0,1,0|2,0,1]=4 24 B10R1.22 CC1=CC(O)=C(N)C(C)=N1 C75076 [0,0,0,0,0,1|2,0,1]=4 25 B10R1.118 CC1=CN(C)C(=O)N=C1O AT19349 [0,0,0,0,0,1|2,0,0]=3 26 B10R1.119 CC1=C(N)C(=O)N(C)C=C1 AT19273 [0,0,0,0,0,1|3,0,0]=4 27 B7R0.2 CC\C(C)=C/C(=O)O 64163 [1,0,1,0,0,0|2,0,0]=4 28 B7R0.10 COC(=O)[C@H](C)OC 29231 [1,0,1,0,0,0|2,0,0]=4 29 B7R0.10 COC(=O)\C(C)=C\O 91385 [1,0,1,0,0,0|2,0,0]=4 30 B7R0.16 CC(=O)C(=O)[C@H](C)Br A11673 [1,0,1,0,0,0|1,0,1]=4 31 B7R0.7 CCOC(=O)\C=C\[O-] P10114 [1,0,1,0,0,0|1,0,1]=4 32 B7R1.2 CC1=CC(Br)=CO1 I11460 [2,0,0,0,0,0|1,0,1]=4 33 B7R1.2 CC1=CN=C(C)O1 AC5679 [2,0,0,0,0,0|1,0,1]=4 34 B7R1.4 CC1=C(N)C=NO1 AT19805 [2,0,0,0,0,0|2,0,0]=4 35 B9R0.6 C=C(C)C(=O)C(=O)OCC 90758 [0,1,1,0,0,0|1,0,1]=4 36 B9R0.6 CCOC(=O)\C(C)=C(\C)N 96849 [0,1,1,0,0,0|2,0,0]=4 37 B9R1.22 CC1=CC(C#N)=C(C)O1 AT17526 [1,1,0,0,0,0|1,0,1]=4 38 B9R1.22 CC1=CC(C=O)=C(C)O1 AT17481 [1,1,0,0,0,0|0,0,1]=3 39 B9R1.22 CC1=CC(CN)=C(C)O1 AT17533 [1,1,0,0,0,0|1,0,1]=4 40 B9R1.22 CC1=CC(CN)=C(C)O1 AT17544 [1,1,0,0,0,0|1,0,1]=4 41 B9R1.22 CC1=CC(CO)=C(C)S1 AT16768 [1,1,0,0,0,0|0,1,1]=4 42 B9R1.22 CC1=NC(C=O)=C(C)O1 S11308 [1,1,0,0,0,0|1,0,1]=4 43 B9R1.22 CC1=NN(C)C=C1CO AT14447 [1,1,0,0,0,0|2,0,0]=4 44 B9R1.38 CC1=CC(=O)OC1(C)C D75456 [1,1,0,0,0,0|2,0,0]=4 45 B9R1.27 CC1=C(CO)C(Br)=NO1 AT19719 [1,1,0,0,0,0|2,0,0]=4 46 B11R1.1361 CC1=C(C)C(=O)OC(C)(C)O1 T73024 [0,1,0,0,0,1|1,0,0]=3 47 B11R1.673 CC1=C(Br)C(C(=O)O)=C(C)O1 D86964 [0,2,0,0,0,0|1,0,1]=4 48 B11R1.673 CC1=C(C)C(C(=O)O)=C(C)O1 AT17504 [0,2,0,0,0,0|1,0,1]=4 49 B9R1.3 O=C1CCCC(O)=C1F P17611 [0,0,1,1,0,0|1,0,0]=3 50 B9R1.34 C[C@H]1CC(=O)C[C@H](C)O1 P14538 [1,0,0,0,0,1|0,0,2]=4