0 B14R1.160 NC1=C(C(=O)NCC(=O)O)C=CC=C1 CS-0376681 [0,0,0,0,0,0|3,0,1]=4 1 B13R1.45 CC(C)NNC(=O)C1=CC=NC=C1 CS-0013623 [1,0,0,0,0,0|3,0,0]=4 2 B13R1.45 CN(C)\C=C\C(=O)C1=CC=CC=C1 CS-0498756 [1,0,0,0,0,0|2,0,1]=4 3 B13R1.158 CC1=CC=CC=C1CNCC(C)C CS-0125693 [1,0,0,0,0,0|2,0,1]=4 4 B13R1.674 CCCOC(=O)C1=CC=CC=C1O CS-0187616 [1,0,0,0,0,0|1,0,0]=2 5 B15R2.7474 CC1(C)COC(C2=CC=CC=C2Br)=N1 CS-0308516 [0,0,0,1,0,0|2,0,0]=3 6 B13R1.201 CC(=O)CC(=O)C1=CC=CC=C1Br CS-0275772 [0,0,0,0,1,0|2,0,1]=4 7 B13R1.201 CC(=O)CC(=O)C1=CC=CC=C1C CS-0225189 [0,0,0,0,1,0|2,0,1]=4 8 B13R1.201 CC(=O)CC(=O)C1=CC=CC=C1O CS-0213331 [0,0,0,0,1,0|2,0,1]=4 9 B13R1.201 CC(C)CC(C)C1=CC=CC=C1N CS-0030818 [0,0,0,0,1,0|1,0,1]=3 10 B13R1.201 CC(C)NC(=O)C1=CC=CC=C1Br CS-0153999 [0,0,0,0,1,0|2,0,0]=3 11 B13R1.201 CC(C)NC(=O)C1=CC=CC=C1N CS-0647212 [0,0,0,0,1,0|1,0,0]=2 12 B13R1.201 CC(C)OC(=O)C1=CC=CC=C1O CS-0154174 [0,0,0,0,1,0|1,0,0]=2 13 B12R1.30 C#CCOC(=O)C1=CC=CC=C1 CS-0109541 [2,0,0,0,0,0|0,0,2]=4 14 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 CS-0205152 [2,0,0,0,0,0|0,0,2]=4 15 B12R1.30 CCCCC(=O)C1=CC=CC=C1 CS-W010853 [2,0,0,0,0,0|1,0,0]=3 16 B12R1.30 CCCOC(=O)C1=CC=CC=C1 CS-0152062 [2,0,0,0,0,0|0,0,0]=2 17 B12R1.30 O=C(OCCBr)C1=CC=CC=C1 CS-0156543 [2,0,0,0,0,0|1,0,0]=3 18 B12R1.30 O=C(OCCCl)C1=CC=CC=C1 CS-W016989 [2,0,0,0,0,0|1,0,0]=3 19 B12R1.30 O=C(OCCI)C1=CC=CC=C1 CS-0207181 [2,0,0,0,0,0|1,0,0]=3 20 B12R1.30 O=C(OCCO)C1=CC=CC=C1 CS-0233065 [2,0,0,0,0,0|1,0,0]=3 21 B12R1.252 CC(C)CNCC1=CC=CC=C1 CS-0116902 [2,0,0,0,0,0|1,0,1]=4 22 B12R1.252 CC(O)COCC1=CC=CC=C1 CS-W017858 [2,0,0,0,0,0|1,0,1]=4 23 B12R1.252 [C@@H](C)(O)COCC1=CC=CC=C1 CS-W017736 [2,0,0,0,0,0|1,0,1]=4 24 B12R1.252 [C@H](C)(O)COCC1=CC=CC=C1 CS-W017860 [2,0,0,0,0,0|1,0,1]=4 25 B12R1.308 CCOC(=O)C1=C(Br)C=NC=C1 CS-0095269 [2,0,0,0,0,0|2,0,0]=4 26 B12R1.308 CCOC(=O)C1=C(C)C=CC=N1 CS-0061547 [2,0,0,0,0,0|2,0,0]=4 27 B12R1.308 CCOC(=O)C1=C(C)N=CC=C1 CS-W010821 [2,0,0,0,0,0|2,0,0]=4 28 B12R1.308 CCOC(=O)C1=C(Cl)C=CC=N1 CS-0151823 [2,0,0,0,0,0|2,0,0]=4 29 B12R1.308 CCOC(=O)C1=C(Cl)N=CC=C1 CS-W016932 [2,0,0,0,0,0|2,0,0]=4 30 B12R1.308 CCOC(=O)C1=C(F)C=CC=C1 CS-W022661 [2,0,0,0,0,0|1,0,0]=3 31 B12R1.308 CCOC(=O)C1=C(F)C=CC=N1 CS-0312608 [2,0,0,0,0,0|2,0,0]=4 32 B12R1.308 CCOC(=O)C1=C(N)C=CN=C1 CS-0343583 [2,0,0,0,0,0|1,0,0]=3 33 B12R1.308 CCOC(=O)C1=C(N)N=CC=C1 CS-W002788 [2,0,0,0,0,0|1,0,0]=3 34 B12R1.308 CCOC(=O)C1=CC=CC=C1Br CS-0097784 [2,0,0,0,0,0|1,0,0]=3 35 B12R1.308 CCOC(=O)C1=CC=CC=C1C CS-0151742 [2,0,0,0,0,0|1,0,0]=3 36 B12R1.308 CCOC(=O)C1=CC=CC=C1Cl CS-W016986 [2,0,0,0,0,0|1,0,0]=3 37 B12R1.308 CCOC(=O)C1=CC=CC=C1I CS-0085183 [2,0,0,0,0,0|1,0,0]=3 38 B12R1.308 CCOC(=O)C1=CC=NC=C1N CS-D0762 [2,0,0,0,0,0|1,0,0]=3 39 B12R1.308 CCOC(=O)C1=CC=NC=C1O CS-0053860 [2,0,0,0,0,0|2,0,0]=4 40 B12R1.308 CCOC(=O)C1=CN=CN=C1N CS-W000715 [2,0,0,0,0,0|2,0,0]=4 41 B12R1.308 CCOC(=O)C1=NC=CC=C1Br CS-0041849 [2,0,0,0,0,0|2,0,0]=4 42 B12R1.308 CCOC(=O)C1=NC=CC=C1N CS-D1583 [2,0,0,0,0,0|1,0,0]=3 43 B12R1.308 CCOC(=O)C1=NC=NC=C1N CS-0045640 [2,0,0,0,0,0|2,0,0]=4 44 B14R1.415 CC(C)C(=O)CC(=O)C1=CC=CC=C1 CS-0222762 [1,1,0,0,0,0|1,0,1]=4 45 B14R1.678 CC(C)COC(=O)C1=CC=C(N)C=C1 CS-0013624 [1,1,0,0,0,0|0,0,0]=2 46 B14R1.678 CC(C)COC(=O)C1=CC=C(O)C=C1 CS-W015742 [1,1,0,0,0,0|0,0,0]=2 47 B14R1.678 CN(C)CCC(=O)C1=CC=C(Cl)C=C1 CS-0151292 [1,1,0,0,0,0|2,0,0]=4 48 B14R1.1035 NC1=C(C(=O)NCCCO)C=CC=C1 CS-0205032 [1,1,0,0,0,0|1,0,0]=3 49 B14R1.2523 O=C(OCCO)C1=CC=C(O)C=C1O CS-0583250 [1,1,0,0,0,0|2,0,0]=4 50 B14R1.4451 CC(C)(C)OC(=O)C1=C(Br)C=NC=C1 CS-0651637 [0,1,0,0,1,0|2,0,0]=4 51 B14R1.4451 CC(C)(C)OC(=O)C1=CC=CC=C1Br CS-0041385 [0,1,0,0,1,0|1,0,0]=3 52 B14R1.4451 CC(C)(C)OC(=O)C1=CC=CC=C1I CS-0212490 [0,1,0,0,1,0|1,0,0]=3 53 B14R1.4451 CC(C)(C)OC(=O)C1=CC=CN=C1Cl CS-0130057 [0,1,0,0,1,0|2,0,0]=4 54 B14R1.4451 CC(C)(C)OC(=O)C1=NC=CC=C1F CS-0029733 [0,1,0,0,1,0|2,0,0]=4 55 B14R1.5805 CC(C)CC(C)(O)C1=CC=CC=C1N CS-0033800 [0,1,0,0,1,0|0,0,2]=4 56 B14R1.5805 CC(C)NS(=O)(=O)C1=CC=CC=C1N CS-0078842 [0,1,0,0,1,0|2,0,0]=4 57 B14R2.403 CC1(C)COC(C2=CC=CC=N2)=N1 CS-0610962 [1,0,0,1,0,0|2,0,0]=4 58 B14R2.422 O=C(C1=CC=CC=C1)N2CC(O)C2 CS-0233449 [1,0,0,1,0,0|2,0,0]=4 59 B14R2.29285 CC1(C)CCC(=O)C2=C1C=CC=C2 CS-0067919 [1,0,0,1,0,0|1,0,0]=3 60 B14R2.29285 C[Si]1(C)CNC(=O)C2=CC=CC=C21 CS-0058898 [1,0,0,1,0,0|1,1,0]=4 61 B14R2.44 CCCC1CC2=CC=CC=C2C1=O CS-0152401 [1,0,0,1,0,0|2,0,0]=4 62 B14R2.1019 CCC1=NC(=O)C2=C(C=CC=C2)N1 CS-0209932 [1,0,0,1,0,0|1,0,1]=4 63 B14R2.4633 NC1=CC=CC=C1C(=O)NC2CC2 CS-0037154 [1,0,0,1,0,0|1,0,0]=3 64 B14R2.2 CN(C)CC1=CNC2=C1C=CC=C2 CS-0007885 [0,0,0,1,1,0|2,0,0]=4 65 B14R2.29496 CC1=CC(C)(C)NC2=CC=CC=C12 CS-0166929 [0,0,0,1,1,0|1,0,1]=4 66 B14R2.29496 CC1CC(C)(C)NC2=C1C=CC=C2 CS-0117575 [0,0,0,1,1,0|1,0,1]=4 67 B14R2.29496 CC1CC(C)(C)NC2=CC=CC=C21 CS-0152691 [0,0,0,1,1,0|1,0,1]=4 68 B16R2.3270 CC(C)[C@@H]1COC(C2=CC=CC=C2Br)=N1 CS-0505998 [0,0,0,1,0,1|2,0,0]=4 69 B16R2.3270 CC(C)[C@H]1COC(C2=CC=CC=C2Br)=N1 CS-0506375 [0,0,0,1,0,1|2,0,0]=4 70 B16R2.7896 COC1=CC=CC=C1C2=NC(C)(C)CO2 CS-W015375 [0,1,0,1,0,0|2,0,0]=4 71 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CS-W014323 [1,0,0,0,1,0|1,0,1]=4 72 B12R1.107 CC(C)CC(=O)C1=CC=CC=C1 CS-0082896 [1,0,0,0,1,0|0,0,0]=2 73 B12R1.107 CC(C)CC(N)C1=CC=CC=C1 CS-0201972 [1,0,0,0,1,0|1,0,1]=4 74 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 CS-0095487 [1,0,0,0,1,0|1,0,1]=4 75 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 CS-0097724 [1,0,0,0,1,0|1,0,1]=4 76 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 CS-W017911 [1,0,0,0,1,0|0,0,0]=2 77 B12R1.124 CC(C)C(=O)C1=CC=CC=C1Br CS-0308521 [0,0,0,0,2,0|1,0,0]=3 78 B12R1.124 CC(C)C(=O)C1=CC=CC=C1F CS-0101621 [0,0,0,0,2,0|1,0,0]=3 79 B12R1.124 CN(C)C(=O)C1=C(I)C=CC=C1 CS-0210347 [0,0,0,0,2,0|2,0,0]=4 80 B12R1.124 CN(C)C(=O)C1=CC=CC=C1N CS-0071466 [0,0,0,0,2,0|1,0,0]=3 81 B12R1.124 CN(C)C(=O)C1=CC=CC=C1O CS-0141020 [0,0,0,0,2,0|2,0,0]=4