0 B10R1.10 CNCC1=CC(O)=CC=C1 B039552 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.2 CC1=NC=CC(CN)=N1 B059729 [1,0,0,0,0,0|2,0,0]=3 2 B9R1.2 NC1=NC=CC(CO)=C1 B039501 [1,0,0,0,0,0|3,0,0]=4 3 B9R1.8 BrCCC1=NC=CC=C1 B050856 [1,0,0,0,0,0|2,0,0]=3 4 B9R1.8 CNCC1=CC=CC=N1 B059678 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.8 ClCCC1=NC=CC=C1 B050813 [1,0,0,0,0,0|2,0,0]=3 6 B9R1.8 NOCC1=CC=CC=C1 B022277 [1,0,0,0,0,0|1,0,0]=2 7 B11R1.24 CC1=CC=CC(OCCN)=C1 B050095 [0,1,0,0,0,0|0,0,0]=1 8 B11R1.157 C(F)(F)OC1=CC=CC(N)=C1 B046376 [0,1,0,0,0,0|3,0,0]=4 9 B11R1.157 CC(=O)CC1=CC(C)=CC=N1 B037032 [0,1,0,0,0,0|2,0,1]=4 10 B11R2.106 NC1=C2NN=CC2=CC=C1 B049588 [0,0,0,1,0,0|2,0,1]=4 11 B9R1.7 CC1=CN(CCCl)N=C1 B060696 [0,0,0,0,1,0|3,0,0]=4 12 B9R1.7 CC1=CN(CCF)C=N1 B060686 [0,0,0,0,1,0|3,0,0]=4 13 B9R1.7 CC1=CN(CCF)N=C1 B051515 [0,0,0,0,1,0|3,0,0]=4 14 B9R1.7 CC1=CN(CCN)N=C1 B016664 [0,0,0,0,1,0|2,0,0]=3 15 B9R1.7 CC1=CN(CCN)N=C1 B038611 [0,0,0,0,1,0|2,0,0]=3 16 B9R1.7 CC1=CN(CCO)N=C1 B023991 [0,0,0,0,1,0|3,0,0]=4 17 B9R1.7 CC1=NN(CCBr)C=C1 B050871 [0,0,0,0,1,0|3,0,0]=4 18 B9R1.7 CC1=NN(CCF)C=C1 B051622 [0,0,0,0,1,0|3,0,0]=4 19 B9R1.7 CC1=NN(CCN)C=C1 B023878 [0,0,0,0,1,0|2,0,0]=3 20 B9R1.7 CC1=NN(CCO)C=C1 B023993 [0,0,0,0,1,0|3,0,0]=4 21 B9R1.7 CCCN1C=CC(C)=N1 B030313 [0,0,0,0,1,0|3,0,0]=4 22 B9R1.7 CN1C=C(CCCl)C=N1 B047504 [0,0,0,0,1,0|3,0,0]=4 23 B9R1.7 CN1C=C(CCN)C=N1 B047486 [0,0,0,0,1,0|2,0,0]=3 24 B9R1.7 CN1C=C(CCN)C=N1 B047580 [0,0,0,0,1,0|2,0,0]=3 25 B9R1.7 CN1C=C(CCO)C=N1 B038461 [0,0,0,0,1,0|3,0,0]=4 26 B9R1.7 CN1C=CC(CCN)=N1 B047652 [0,0,0,0,1,0|2,0,0]=3 27 B9R1.7 CNCC1=CC=C(C)S1 B059730 [0,0,0,0,1,0|3,0,0]=4 28 B9R1.7 NCCN1C=C(Br)C=N1 B016101 [0,0,0,0,1,0|3,0,0]=4 29 B9R1.7 NCCN1C=C(Cl)C=N1 B014438 [0,0,0,0,1,0|3,0,0]=4 30 B9R1.7 NCCN1C=C(Cl)C=N1 B020482 [0,0,0,0,1,0|3,0,0]=4 31 B9R1.7 NCCN1C=CC(Br)=N1 B050955 [0,0,0,0,1,0|3,0,0]=4 32 B9R1.33 CC1=CC=NN1CCF B051641 [0,0,0,0,1,0|3,0,0]=4 33 B9R1.33 CC1=CC=NN1CCN B023879 [0,0,0,0,1,0|2,0,0]=3 34 B9R1.33 CCCN1N=CC=C1C B030312 [0,0,0,0,1,0|3,0,0]=4 35 B9R1.33 CN1C=CN=C1CCN B059762 [0,0,0,0,1,0|2,0,0]=3 36 B9R1.33 CN1C=NN=C1CCN B039493 [0,0,0,0,1,0|3,0,0]=4 37 B9R1.33 CN1C=NN=C1CCN B051824 [0,0,0,0,1,0|3,0,0]=4 38 B9R1.33 CN1N=CC=C1CCN B047655 [0,0,0,0,1,0|2,0,0]=3 39 B8R1.2 NCC1=NC=CN=C1 B050555 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.176 CCC1=CC=C(O)C(N)=C1 B037973 [1,1,0,0,0,0|1,0,0]=3 41 B10R1.1 CC1=CC=C(CON)C=C1 B018552 [1,1,0,0,0,0|1,0,0]=3 42 B10R1.1 CNCC1=CC=C(O)C=C1 B039566 [1,1,0,0,0,0|2,0,0]=4 43 B10R1.15 CCC(N)C1=CC=CC=C1 B006605 [1,1,0,0,0,0|1,0,0]=3 44 B10R1.17 BrCCCC1=CN=CC=C1 B050854 [1,1,0,0,0,0|2,0,0]=4 45 B10R1.17 NCCCC1=CC=CC=N1 B048973 [1,1,0,0,0,0|1,0,0]=3 46 B10R1.18 CC(N)CC1=CC=CC=N1 B037029 [1,1,0,0,0,0|1,0,0]=3 47 B10R1.18 NC(=S)CC1=CC=CC=C1 B039022 [1,1,0,0,0,0|0,0,1]=3 48 B10R1.14 CC1=CN(C(C)CN)N=C1 B037388 [0,1,0,0,1,0|2,0,0]=4 49 B10R1.14 CC1=NN(C(C)CN)C=C1 B037386 [0,1,0,0,1,0|2,0,0]=4 50 B10R1.16 CC1=CN(CCCN)N=C1 B007320 [0,1,0,0,1,0|2,0,0]=4 51 B10R1.16 CC1=NN(CCCN)C=C1 B007321 [0,1,0,0,1,0|2,0,0]=4 52 B10R1.16 CCNCC1=CC=C(C)O1 B059777 [0,1,0,0,1,0|2,0,0]=4 53 B10R1.16 CN1C=C(CCCN)C=N1 B047487 [0,1,0,0,1,0|2,0,0]=4 54 B10R1.16 CN1C=C(CCCN)C=N1 B047581 [0,1,0,0,1,0|2,0,0]=4 55 B10R1.54 CC(N)CC1=CN(C)N=C1 B051166 [0,1,0,0,1,0|2,0,0]=4 56 B10R1.54 CC1=CC(CC(C)N)=NN1 B037052 [0,1,0,0,1,0|2,0,0]=4 57 B10R1.54 CC1=CN(CC(C)N)N=C1 B021099 [0,1,0,0,1,0|2,0,0]=4 58 B10R1.54 CC1=NN(CC(C)N)C=C1 B021098 [0,1,0,0,1,0|2,0,0]=4 59 B10R1.54 CC1=NN(CC(C)N)C=C1 B047514 [0,1,0,0,1,0|2,0,0]=4 60 B10R1.96 CCN1C=CC(CCN)=N1 B047653 [0,1,0,0,1,0|2,0,0]=4 61 B10R1.130 CC1=CC(C)=NN1CCN B016661 [0,1,0,0,1,0|2,0,0]=4 62 B10R1.130 CC1=CC(C)=NN1CCN B051275 [0,1,0,0,1,0|2,0,0]=4 63 B10R1.131 CC1=NN(CCN)C=C1Cl B023884 [0,1,0,0,1,0|2,0,0]=4 64 B10R1.131 CC1=NN(CCN)C=C1Cl B039354 [0,1,0,0,1,0|2,0,0]=4 65 B10R1.131 CC1=NN(CCN)C=C1I B047765 [0,1,0,0,1,0|2,0,0]=4 66 B10R1.131 CC1=NN(CCN)C=C1I B052425 [0,1,0,0,1,0|2,0,0]=4 67 B10R1.5 CCN1N=CC=C1CCN B047435 [0,1,0,0,1,0|2,0,0]=4 68 B10R1.29 CC1=CC=NN1CCCN B007323 [0,1,0,0,1,0|2,0,0]=4 69 B10R1.29 CC1=NC=CN1CCCN B048780 [0,1,0,0,1,0|2,0,0]=4 70 B10R1.64 CC(N)CC1=CC=NN1C B051165 [0,1,0,0,1,0|2,0,0]=4 71 B10R1.149 CN1C=CN=C1C(O)CN B022239 [0,1,0,0,1,0|2,0,0]=4 72 B10R1.187 CC1=NNC(C)=C1CCN B049151 [0,1,0,0,1,0|2,0,0]=4 73 B12R1.367 CC1=C(C)C=C(C(=O)NN)C=C1 B014932 [0,2,0,0,0,0|1,0,1]=4 74 B12R1.367 CCC(N)C1=CC(C)=C(C)C=C1 B029995 [0,2,0,0,0,0|1,0,0]=3 75 B12R1.50 CNC(C)CC1=CC(C)=CC=N1 B037033 [0,2,0,0,0,0|1,0,0]=3 76 B12R1.50 N\C(CC1=CC(Cl)=CC=C1)=N/O B034862 [0,2,0,0,0,0|1,0,1]=4 77 B12R1.226 CC(C)NCC1=CC(F)=CC=C1 B059714 [0,2,0,0,0,0|2,0,0]=4 78 B12R1.226 CC1=CC(NCC(=O)O)=CC=C1 B003340 [0,2,0,0,0,0|1,0,1]=4 79 B12R1.226 CC1=CC=CC(CNC(C)C)=C1 B059711 [0,2,0,0,0,0|1,0,0]=3 80 B12R1.226 NC1=CC=CC(OCC(F)F)=C1 B030863 [0,2,0,0,0,0|2,0,0]=4 81 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 B049111 [0,2,0,0,0,0|2,0,0]=4 82 B12R1.382 CCCOC1=CC=CC(C=O)=C1 B000272 [0,2,0,0,0,0|1,0,1]=4 83 B12R1.382 COC1=CC(CCCN)=CC=C1 B049845 [0,2,0,0,0,0|0,0,0]=2 84 B12R1.382 FCCOC1=CC=CC(CBr)=C1 B059300 [0,2,0,0,0,0|1,0,0]=3 85 B12R1.382 FCCOC1=CC=CC(CCl)=C1 B059299 [0,2,0,0,0,0|1,0,0]=3 86 B12R1.382 NCC1=CC(OCCF)=CC=C1 B059301 [0,2,0,0,0,0|1,0,0]=3 87 B12R1.382 O=CC1=CC(OCCF)=CC=C1 B059296 [0,2,0,0,0,0|1,0,1]=4 88 B12R1.382 OCC1=CC(OCCF)=CC=C1 B059298 [0,2,0,0,0,0|1,0,0]=3 89 B12R1.385 CC1=C(Cl)C=CC(OCCN)=C1 B050021 [0,2,0,0,0,0|0,0,0]=2 90 B12R1.19 CC1=C(N)C=CC(OC(F)F)=C1 B014416 [0,2,0,0,0,0|2,0,0]=4 91 B12R1.19 CC1=C(N)C=CC(OC(F)F)=C1 B016058 [0,2,0,0,0,0|2,0,0]=4 92 B12R1.127 CC1=CC=C(N)C(OC(F)F)=C1 B014396 [0,2,0,0,0,0|2,0,0]=4 93 B12R1.127 CC1=CC=C(N)C(OC(F)F)=C1 B046369 [0,2,0,0,0,0|2,0,0]=4 94 B12R1.438 CN(C)CC1=CC(CN)=CC=C1 B059690 [0,2,0,0,0,0|2,0,0]=4 95 B12R1.438 NCC1=CC(OC(F)F)=CC=C1 B046419 [0,2,0,0,0,0|2,0,0]=4 96 B12R1.279 CCOC1=CC(C(C)=O)=CC=C1 B000300 [0,2,0,0,0,0|2,0,0]=4 97 B12R2.1081 CC1=CC=CC2=C1NCCC2 B016010 [0,1,0,1,0,0|0,0,0]=2 98 B12R2.1081 NC1=CC=CC2=C1CCCC2 B049826 [0,1,0,1,0,0|2,0,0]=4 99 B12R2.1081 OC1=CC=CC2=C1NCCC2 B050304 [0,1,0,1,0,0|1,0,0]=3 100 B12R2.24 CC1=CC2=C(C=C1)NCCC2 B039264 [0,1,0,1,0,0|0,0,0]=2 101 B12R2.24 NC1=CC2=C(C=C1)CCCC2 B049556 [0,1,0,1,0,0|2,0,0]=4 102 B12R2.246 CC1=C2NN=CC2=CC(Br)=C1 B049596 [0,1,0,1,0,0|1,0,1]=4 103 B12R2.246 CC1=C2NN=CC2=CC(N)=C1 B049572 [0,1,0,1,0,0|1,0,1]=4 104 B12R2.44 COC1=CC2=C(C=C1)NC=C2 B038514 [0,1,0,1,0,0|0,0,2]=4 105 B12R2.44 NCC1=CC2=C(C=C1)OCO2 B019914 [0,1,0,1,0,0|2,0,0]=4 106 B8R1.1 CC1=CC=C(CN)S1 B030516 [1,0,0,0,1,0|1,0,0]=3 107 B8R1.1 CC1=CSC(CN)=N1 B030505 [1,0,0,0,1,0|2,0,0]=4 108 B8R1.1 CC1=NNC(CN)=C1 B040410 [1,0,0,0,1,0|2,0,0]=4 109 B8R1.1 CC1=NOC(CN)=C1 B038372 [1,0,0,0,1,0|2,0,0]=4 110 B8R1.1 CC1=NOC(CN)=C1 B039279 [1,0,0,0,1,0|2,0,0]=4 111 B8R1.1 CCC1=CC(Br)=CS1 B046186 [1,0,0,0,1,0|2,0,0]=4 112 B8R1.1 CCN1C=C(C)C=N1 B052000 [1,0,0,0,1,0|2,0,0]=4 113 B8R1.1 CCN1C=CC(C)=N1 B006751 [1,0,0,0,1,0|2,0,0]=4 114 B8R1.1 CCN1C=NC(C)=C1 B051963 [1,0,0,0,1,0|2,0,0]=4 115 B8R1.1 CN1C=C(CN)C=N1 B000529 [1,0,0,0,1,0|2,0,0]=4 116 B8R1.1 CN1C=CC(CN)=N1 B007402 [1,0,0,0,1,0|2,0,0]=4 117 B8R1.1 CN1C=CC(CN)=N1 B016053 [1,0,0,0,1,0|2,0,0]=4 118 B8R1.1 NCC1=CC=C(F)S1 B052432 [1,0,0,0,1,0|2,0,0]=4 119 B8R1.11 CC1=NNC=C1CN B049608 [1,0,0,0,1,0|2,0,0]=4 120 B8R1.11 CCC1=CC=NN1C B037958 [1,0,0,0,1,0|2,0,0]=4 121 B8R1.11 CCN1C=NC=C1C B051962 [1,0,0,0,1,0|2,0,0]=4 122 B8R1.11 CCN1N=CC=C1C B006759 [1,0,0,0,1,0|2,0,0]=4 123 B8R1.11 CN1N=CC=C1CN B007404 [1,0,0,0,1,0|2,0,0]=4 124 B8R1.11 CN1N=CC=C1CN B016043 [1,0,0,0,1,0|2,0,0]=4 125 B8R1.8 CCCC1=CC=CS1 B046363 [1,0,0,0,1,0|2,0,0]=4 126 B8R1.8 NCCC1=CC=CO1 B029933 [1,0,0,0,1,0|1,0,0]=3 127 B8R1.8 NCCC1=CC=CO1 B049455 [1,0,0,0,1,0|1,0,0]=3 128 B8R1.8 NCCC1=CNC=N1 B048931 [1,0,0,0,1,0|2,0,0]=4 129 B8R1.8 NCCC1=CNN=C1 B037041 [1,0,0,0,1,0|2,0,0]=4 130 B8R1.8 NCCC1=CNN=C1 B046264 [1,0,0,0,1,0|2,0,0]=4 131 B8R1.8 NCCC1=NC=CS1 B059753 [1,0,0,0,1,0|2,0,0]=4 132 B8R1.8 NCCN1C=CC=N1 B016657 [1,0,0,0,1,0|2,0,0]=4 133 B8R1.8 NCCN1C=CN=C1 B037992 [1,0,0,0,1,0|2,0,0]=4 134 B8R1.8 NCCN1C=CN=C1 B046367 [1,0,0,0,1,0|2,0,0]=4