0 B12R1.16 CCOC(=O)C1=CC=C(Br)N=C1 CS-W022712 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.16 CCOC(=O)C1=CNC(=O)N=C1 CS-0045763 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.16 N#CCC(=O)C1=CC=C(Br)C=C1 CS-W013078 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.1 CCNCC1=CC=C(C)C=C1 CS-0045363 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.1 CCOCC1=CN=C(Cl)C=C1 CS-0064935 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.16 O=C(OCCl)C1=CC=CC=C1 CS-W004798 [1,0,0,0,0,0|1,0,0]=2 6 B11R1.22 CNC(=O)C1=CC=C(I)C=C1 CS-0102088 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.22 COC(=O)C1=CC=C(S)C=C1 CS-0037057 [1,0,0,0,0,0|1,0,0]=2 8 B11R1.22 COC(=O)C1=CN=C(Cl)N=C1 CS-W018560 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.22 COC(=O)C1=CN=C(O)C=C1 CS-W005768 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.22 COC(=O)C1=CNC(=O)N=C1 CS-0045841 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.22 COC(=O)C1=NC=C(Cl)C=N1 CS-0036347 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.22 COC(=O)C1=NC=C(Cl)N=C1 CS-B0937 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.22 COC(=O)C1=NC=C(O)C=N1 CS-0056562 [1,0,0,0,0,0|3,0,0]=4 14 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 CS-W009051 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 CS-W020378 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 CS-W017674 [1,0,0,0,0,0|2,0,0]=3 17 B13R1.29 CC1=CC=C(S(=O)(=O)OCF)C=C1 CS-W018988 [0,1,0,0,0,0|3,0,0]=4 18 B13R1.132 CC(=O)CC(=O)C1=CC=C(F)C=C1 CS-0060858 [0,1,0,0,0,0|2,0,1]=4 19 B13R1.452 C#CC1=CC=C(C(=O)OCC)C=C1 CS-D0535 [0,1,0,0,0,0|1,0,0]=2 20 B13R1.452 CCOC(=N)C1=CC=C(OC)C=C1 CS-0046895 [0,1,0,0,0,0|2,0,0]=3 21 B13R1.452 CCOC(=O)C1=CC=C(C=O)C=C1 CS-0097281 [0,1,0,0,0,0|1,0,0]=2 22 B13R1.452 CCOC(=O)C1=CC=C(CN)C=C1 CS-0022216 [0,1,0,0,0,0|0,0,0]=1 23 B13R1.452 CCOC(=O)C1=CN=C(C#N)C=C1 CS-W022716 [0,1,0,0,0,0|1,0,1]=3 24 B13R1.466 CCOC(=O)C1=CC(Br)=C(O)C=C1 CS-0037718 [0,1,0,0,0,0|1,0,0]=2 25 B13R1.466 CCOC(=O)C1=CC(F)=C(N)C=C1 CS-W022684 [0,1,0,0,0,0|0,0,0]=1 26 B13R1.466 CCOC(=O)C1=CC=C(Br)C(Br)=C1 CS-0036162 [0,1,0,0,0,0|1,0,0]=2 27 B13R1.466 CCOC(=O)C1=CC=C(C)C(Cl)=N1 CS-0035485 [0,1,0,0,0,0|2,0,0]=3 28 B13R1.466 CCOC(=O)C1=CC=C(N)C(I)=C1 CS-0095606 [0,1,0,0,0,0|0,0,0]=1 29 B13R1.466 CCOC(=O)C1=CN=C(C)C(N)=C1 CS-0049447 [0,1,0,0,0,0|2,0,0]=3 30 B13R1.1511 CCOC(=O)C1=C(C)NC(=O)C=C1 CS-0049505 [0,1,0,0,0,0|2,0,0]=3 31 B13R1.1511 CCOC(=O)C1=CC=C(Br)C=C1C CS-0037044 [0,1,0,0,0,0|1,0,0]=2 32 B13R1.1511 CCOC(=O)C1=CC=C(F)C=C1Br CS-0096862 [0,1,0,0,0,0|1,0,0]=2 33 B13R1.1511 CCOC(=O)C1=CC=C(F)C=C1F CS-W023088 [0,1,0,0,0,0|1,0,0]=2 34 B13R1.1511 CCOC(=O)C1=CC=C(I)C=C1C CS-0113927 [0,1,0,0,0,0|1,0,0]=2 35 B13R1.1511 CCOC(=O)C1=CC=C(N)C=C1Cl CS-B1391 [0,1,0,0,0,0|0,0,0]=1 36 B13R1.1511 CCOC(=O)C1=CN=C(C)N=C1Cl CS-W022687 [0,1,0,0,0,0|3,0,0]=4 37 B13R1.1511 CCOC(=O)C1=CN=C(Cl)N=C1C CS-W008424 [0,1,0,0,0,0|3,0,0]=4 38 B13R1.1511 CCOC(=O)C1=CN=C(N)N=C1N CS-0045771 [0,1,0,0,0,0|2,0,0]=3 39 B13R1.1511 CCOC(=O)C1=NC=C(C)NC1=O CS-0097643 [0,1,0,0,0,0|3,0,0]=4 40 B13R1.1511 CCOC(=O)C1=NN=C(Cl)C=C1Cl CS-W022681 [0,1,0,0,0,0|3,0,0]=4 41 B13R2.520 O=C(C1=CC=C(O)C=C1)C2CC2 CS-0103541 [0,0,0,1,0,0|2,0,0]=3 42 B13R2.5179 CC1=CC=C2C(=O)CCOC2=C1 CS-0101615 [0,0,0,1,0,0|3,0,0]=4 43 B13R2.5179 O=C1C=CC2=C(CCCC2=O)N1 CS-W018497 [0,0,0,1,0,0|3,0,0]=4 44 B13R2.5179 O=C1CCCC2=C1C=CC(I)=C2 CS-0020163 [0,0,0,1,0,0|2,0,0]=3 45 B13R2.5179 O=C1CCOC2=C1C=CC(Cl)=C2 CS-W005351 [0,0,0,1,0,0|3,0,0]=4 46 B13R2.5179 O=C1CCOC2=C1C=CC(F)=C2 CS-W004859 [0,0,0,1,0,0|3,0,0]=4 47 B13R2.5179 O=C1COCC2=CC(Br)=CC=C12 CS-0037637 [0,0,0,1,0,0|3,0,0]=4 48 B13R2.5179 O=C1NCCC2=C1C=CC(Br)=C2 CS-D0456 [0,0,0,1,0,0|2,0,0]=3 49 B11R1.15 CCOC(=O)C1=CC(=O)NN1 CS-0044183 [0,0,0,0,1,0|3,0,0]=4 50 B11R1.15 CCOC(=O)C1=CC(Br)=CN1 CS-W009320 [0,0,0,0,1,0|2,0,0]=3 51 B11R1.15 CCOC(=O)C1=CC(C)=CN1 CS-W018073 [0,0,0,0,1,0|2,0,0]=3 52 B11R1.15 CCOC(=O)C1=CN=C(Br)O1 CS-W018559 [0,0,0,0,1,0|3,0,0]=4 53 B11R1.15 CCOC(=O)C1=CN=C(Cl)O1 CS-D0874 [0,0,0,0,1,0|3,0,0]=4 54 B11R1.15 CCOC(=O)C1=CN=C(N)S1 CS-D0703 [0,0,0,0,1,0|2,0,0]=3 55 B11R1.15 CCOC(=O)C1=COC(=N)N1 CS-W016240 [0,0,0,0,1,0|2,0,1]=4 56 B11R1.15 CCOC(=O)C1=COC(Br)=N1 CS-W004991 [0,0,0,0,1,0|3,0,0]=4 57 B11R1.15 CCOC(=O)C1=CSC(=S)N1 CS-0095184 [0,0,0,0,1,0|3,0,0]=4 58 B11R1.15 CCOC(=O)C1=CSC(N)=N1 CS-W009022 [0,0,0,0,1,0|2,0,0]=3 59 B11R1.15 CCOC(=O)C1=NC(N)=NN1 CS-W019395 [0,0,0,0,1,0|3,0,0]=4 60 B11R1.15 CCOC(=O)C1=NC=C(C)O1 CS-0059213 [0,0,0,0,1,0|3,0,0]=4 61 B11R1.15 CCOC(=O)C1=NNC(O)=C1 CS-0062453 [0,0,0,0,1,0|3,0,0]=4 62 B11R1.15 CCOC(=O)C1=NOC(N)=C1 CS-0043938 [0,0,0,0,1,0|2,0,0]=3 63 B13R1.19 CCOC(=O)CC1=CC=C(Br)C=N1 CS-0049532 [0,0,0,0,0,1|2,0,0]=3 64 B10R1.1 CCOC1=CC=C(O)C=C1 CS-W016502 [2,0,0,0,0,0|1,0,0]=3 65 B10R1.1 CCOC1=CN=C(N)C=C1 CS-W022370 [2,0,0,0,0,0|1,0,0]=3 66 B10R1.1 CCOC1=NC=C(Br)C=C1 CS-0014710 [2,0,0,0,0,0|2,0,0]=4 67 B10R1.15 CCC(=O)C1=NC=CC=N1 CS-0054932 [2,0,0,0,0,0|2,0,0]=4 68 B10R1.13 CC(=O)C1=CC=C(Br)N=C1 CS-W019730 [2,0,0,0,0,0|2,0,0]=4 69 B10R1.13 CC(=O)C1=CC=C(C)N=C1 CS-B0461 [2,0,0,0,0,0|2,0,0]=4 70 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 CS-0040244 [2,0,0,0,0,0|2,0,0]=4 71 B10R1.13 CC(=O)C1=NC=C(O)C=C1 CS-W021245 [2,0,0,0,0,0|2,0,0]=4 72 B10R1.13 CC1=CC=C([S@@](C)=O)C=C1 CS-M1249 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.13 CC1=NC=C(C(=O)O)C=C1 CS-W008333 [2,0,0,0,0,0|2,0,0]=4 74 B10R1.13 O=C(O)C1=CC=C(F)N=C1 CS-W019722 [2,0,0,0,0,0|2,0,0]=4 75 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 CS-D0613 [2,0,0,0,0,0|2,0,0]=4 76 B12R1.17 CCOC(=O)C1=CC(Cl)=NC=N1 CS-W008149 [1,1,0,0,0,0|2,0,0]=4 77 B12R1.17 CCOC(=O)C1=CC(O)=NC=N1 CS-M1611 [1,1,0,0,0,0|2,0,0]=4 78 B12R1.17 CCOC(=O)C1=NC(Cl)=CC=C1 CS-W016933 [1,1,0,0,0,0|1,0,0]=3 79 B12R1.30 C#CCNC(=O)C1=CC=CC=C1 CS-0047046 [1,1,0,0,0,0|1,0,1]=4 80 B12R1.30 CCOCC(N)C1=CC=CC=C1 CS-0069368 [1,1,0,0,0,0|1,0,1]=4 81 B12R1.308 CCOC(=O)C1=CC=NNC1=O CS-0061571 [1,1,0,0,0,0|2,0,0]=4 82 B12R1.308 CCOC(=O)C1=CN=NC=C1C CS-0055253 [1,1,0,0,0,0|2,0,0]=4 83 B12R1.308 O=C(CCCl)C1=CC=CC=C1F CS-0045341 [1,1,0,0,0,0|2,0,0]=4 84 B12R1.5 CCC(=O)C1=CN=C(OC)C=C1 CS-0035755 [1,1,0,0,0,0|2,0,0]=4 85 B12R1.5 COC(=O)C1=CC=C(C=O)N=C1 CS-D0517 [1,1,0,0,0,0|2,0,0]=4 86 B12R1.5 COC(=O)C1=CC=C(OC)C=N1 CS-0048973 [1,1,0,0,0,0|2,0,0]=4 87 B12R1.5 COC(=O)C1=CN=C(CBr)C=C1 CS-0012617 [1,1,0,0,0,0|2,0,0]=4 88 B12R1.5 COC(=O)C1=NC=C(C#N)C=C1 CS-0047189 [1,1,0,0,0,0|1,0,1]=4 89 B12R1.12 CCN(CC)C1=CC=C(N)C=C1 CS-W010141 [1,1,0,0,0,0|2,0,0]=4 90 B12R1.20 CC(Br)C(=O)C1=CC=C(O)C=C1 CS-0105639 [1,1,0,0,0,0|1,0,0]=3 91 B12R1.367 COC(=O)C1=CC(Br)=C(C)C=C1 CS-W005030 [1,1,0,0,0,0|1,0,0]=3 92 B12R1.367 COC(=O)C1=CC(Br)=C(N)C=C1 CS-W012965 [1,1,0,0,0,0|0,0,0]=2 93 B12R1.367 COC(=O)C1=CC(Br)=C(O)N=C1 CS-0061828 [1,1,0,0,0,0|2,0,0]=4 94 B12R1.367 COC(=O)C1=CC(C)=C(F)N=C1 CS-0038004 [1,1,0,0,0,0|2,0,0]=4 95 B12R1.367 COC(=O)C1=CC(Cl)=C(Cl)N=C1 CS-WAA0049 [1,1,0,0,0,0|2,0,0]=4 96 B12R1.367 COC(=O)C1=CC(F)=C(O)C=C1 CS-W005048 [1,1,0,0,0,0|1,0,0]=3 97 B12R1.367 COC(=O)C1=CC(I)=C(N)N=C1 CS-0082262 [1,1,0,0,0,0|1,0,0]=3 98 B12R1.367 COC(=O)C1=CC(N)=C(Br)C=C1 CS-W004909 [1,1,0,0,0,0|1,0,0]=3 99 B12R1.367 COC(=O)C1=CC(O)=C(N)N=C1 CS-0103307 [1,1,0,0,0,0|1,0,0]=3 100 B12R1.367 COC(=O)C1=CC=C(Br)C(C)=C1 CS-W008076 [1,1,0,0,0,0|1,0,0]=3 101 B12R1.367 COC(=O)C1=CC=C(C)C(F)=C1 CS-W022829 [1,1,0,0,0,0|1,0,0]=3 102 B12R1.367 COC(=O)C1=CC=C(F)C(I)=C1 CS-0105536 [1,1,0,0,0,0|1,0,0]=3 103 B12R1.367 COC(=O)C1=CC=C(I)C(C)=C1 CS-W008413 [1,1,0,0,0,0|1,0,0]=3 104 B12R1.1703 CNC(=O)C1=C(F)C=C(N)C=C1 CS-M1520 [1,1,0,0,0,0|1,0,0]=3 105 B12R1.1703 COC(=O)C1=C(Br)C=C(Cl)N=C1 CS-0040505 [1,1,0,0,0,0|2,0,0]=4 106 B12R1.1703 COC(=O)C1=C(Br)C=C(F)C=C1 CS-0041783 [1,1,0,0,0,0|1,0,0]=3 107 B12R1.1703 COC(=O)C1=C(F)C=C(Br)C=N1 CS-0046913 [1,1,0,0,0,0|2,0,0]=4 108 B12R1.1703 COC(=O)C1=C(F)C=C(N)C=C1 CS-W004728 [1,1,0,0,0,0|0,0,0]=2 109 B12R1.1703 COC(=O)C1=C(N)C=C(Br)C=C1 CS-W004770 [1,1,0,0,0,0|1,0,0]=3 110 B12R1.1703 COC(=O)C1=C(N)C=C(Cl)N=C1 CS-0044525 [1,1,0,0,0,0|2,0,0]=4 111 B12R1.1703 COC(=O)C1=C(N)N=C(Cl)C=C1 CS-0037235 [1,1,0,0,0,0|2,0,0]=4 112 B12R1.1703 COC(=O)C1=C(O)C=C(Br)C=C1 CS-W004803 [1,1,0,0,0,0|1,0,0]=3 113 B12R1.1703 COC(=O)C1=CC=C(Br)C=C1I CS-0101592 [1,1,0,0,0,0|1,0,0]=3 114 B12R1.1703 COC(=O)C1=CC=C(C)C=C1N CS-0028743 [1,1,0,0,0,0|1,0,0]=3 115 B12R1.1703 COC(=O)C1=CC=C(Cl)C=C1F CS-0065296 [1,1,0,0,0,0|1,0,0]=3 116 B12R1.1703 COC(=O)C1=CC=C(Cl)C=C1I CS-0041112 [1,1,0,0,0,0|1,0,0]=3 117 B12R1.1703 COC(=O)C1=CC=C(I)C=C1Cl CS-0094435 [1,1,0,0,0,0|1,0,0]=3 118 B12R1.1703 COC(=O)C1=CN=C(Br)C=C1Cl CS-W022874 [1,1,0,0,0,0|2,0,0]=4 119 B12R1.1703 O=C(CBr)C1=C(Cl)C=C(Cl)C=C1 CS-M0784 [1,1,0,0,0,0|2,0,0]=4 120 B12R1.312 CCOC(=O)C1=CC=C(C=O)N1 CS-D0032 [0,1,0,0,1,0|2,0,0]=4 121 B12R1.312 CCOC(=O)C1=CC=C(CCl)O1 CS-W005896 [0,1,0,0,1,0|2,0,0]=4 122 B12R1.313 CCOC(=O)C1=NC(N)=CN1C CS-0047359 [0,1,0,0,1,0|2,0,0]=4 123 B12R1.313 CCOC(=O)C1=NC(N)=CN1C CS-0099802 [0,1,0,0,1,0|2,0,0]=4 124 B12R1.314 CCOC(=O)C1=NN(C)C(N)=C1 CS-W007101 [0,1,0,0,1,0|2,0,0]=4 125 B12R1.1579 CCOC(=O)C1=CN=C(N)N1C CS-M2111 [0,1,0,0,1,0|2,0,0]=4 126 B14R1.967 CCOC(=O)CC1=CC=C(F)C(N)=C1 CS-0040865 [0,1,0,0,0,1|1,0,0]=3 127 B14R1.683 CC(C)(C)NC(=O)C1=CC=C(Br)C=C1 CS-0038175 [0,2,0,0,0,0|2,0,0]=4 128 B14R1.683 CC(C)(C)OC(=O)C1=CC=C(I)C=C1 CS-0041087 [0,2,0,0,0,0|1,0,0]=3 129 B14R1.610 CCOC(=O)C1=CC=C(C(C)N)C=C1 CS-M0655 [0,2,0,0,0,0|0,0,0]=2 130 B14R1.610 CCOC(=O)C1=CN=C(C(F)F)C=C1 CS-0038618 [0,2,0,0,0,0|2,0,0]=4 131 B14R1.628 CCOC(=O)C1=CC=C(C#N)C(F)=C1 CS-B1396 [0,2,0,0,0,0|0,0,1]=3 132 B14R1.626 CCOC(=O)C1=CC(C#N)=C(Br)N=C1 CS-0047240 [0,2,0,0,0,0|2,0,0]=4 133 B14R1.6821 CCOC(=O)C1=CC(Br)=C(N)C(Br)=C1 CS-0047038 [0,2,0,0,0,0|0,0,0]=2 134 B14R1.7265 CCOC(=O)C1=CC=C(F)C(N)=C1N CS-B1688 [0,2,0,0,0,0|1,0,0]=3 135 B14R1.7265 CCOC(=O)C1=CC=C(O)C(O)=C1C CS-0027258 [0,2,0,0,0,0|1,0,0]=3 136 B12R2.24 BrC1=CC=C2COCCC2=C1 CS-0037712 [1,0,0,1,0,0|1,0,1]=4 137 B12R2.1081 O=C1CCCC2=C1C=CC=N2 CS-0006841 [1,0,0,1,0,0|2,0,0]=4 138 B12R2.1081 O=C1CCOC2=CC=CC=C12 CS-W007464 [1,0,0,1,0,0|2,0,0]=4 139 B12R2.1081 O=C1NCCC2=C1C=CC=C2 CS-W008863 [1,0,0,1,0,0|1,0,0]=3 140 B12R2.612 O=C1C=CC2=C(CCC2=O)N1 CS-0099235 [1,0,0,1,0,0|2,0,0]=4 141 B12R2.612 O=C1CCC2=CC(Br)=CC=C12 CS-W008687 [1,0,0,1,0,0|1,0,0]=3 142 B12R2.612 O=C1CCC2=NC(Br)=CC=C12 CS-0044389 [1,0,0,1,0,0|2,0,0]=4 143 B12R2.612 O=C1OCC2=C1C=CC(O)=C2 CS-0028396 [1,0,0,1,0,0|1,0,0]=3 144 B14R2.949 O=C(NC1=CC=C(I)C=C1)C2CC2 CS-0044980 [0,0,0,1,0,1|2,0,0]=4 145 B14R2.28480 O=C1CCCC2=CC(F)=CC(F)=C12 CS-0036952 [0,1,0,1,0,0|2,0,0]=4 146 B10R1.11 CCOC(=O)C1=CNC=C1 CS-0037715 [1,0,0,0,1,0|1,0,0]=3 147 B10R1.11 CCOC(=O)C1=CNN=C1 CS-D1524 [1,0,0,0,1,0|2,0,0]=4 148 B10R1.11 CCOC(=O)C1=NC=CN1 CS-D1176 [1,0,0,0,1,0|2,0,0]=4 149 B10R1.11 CCOC(=O)C1=NC=CO1 CS-0044018 [1,0,0,0,1,0|2,0,0]=4 150 B10R1.11 CCOC(=O)C1=NC=CS1 CS-0097915 [1,0,0,0,1,0|2,0,0]=4 151 B10R1.14 COC(=O)C1=CC(I)=CN1 CS-0007661 [1,0,0,0,1,0|2,0,0]=4 152 B10R1.14 COC(=O)C1=CC=C(Br)N1 CS-W006646 [1,0,0,0,1,0|2,0,0]=4 153 B10R1.14 COC(=O)C1=CC=C(Br)S1 CS-B0140 [1,0,0,0,1,0|2,0,0]=4 154 B10R1.14 COC(=O)C1=CC=C(N)S1 CS-W005967 [1,0,0,0,1,0|1,0,0]=3 155 B10R1.14 COC(=O)C1=CN=C(N)S1 CS-W019982 [1,0,0,0,1,0|2,0,0]=4 156 B10R1.14 COC(=O)C1=CSC(Br)=C1 CS-W006344 [1,0,0,0,1,0|2,0,0]=4 157 B10R1.14 COC(=O)C1=NOC(N)=C1 CS-0058753 [1,0,0,0,1,0|2,0,0]=4 158 B12R1.32 CCOC(=O)CC1=NC=CC=C1 CS-0020135 [1,0,0,0,0,1|1,0,0]=3 159 B12R1.32 O=C(CCBr)NC1=CC=CC=C1 CS-0079928 [1,0,0,0,0,1|2,0,0]=4 160 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Br)C=C1 CS-W021127 [0,0,0,0,0,2|1,0,0]=3