0 B13R1.337 CC(=O)OC\C=C\C1=CC=CC=C1 CS11144 [0,0,0,0,0,0|0,0,2]=2 1 B13R1.337 CN(C)CCNCC1=CC=CC=C1 MC21090 [0,0,0,0,0,0|4,0,0]=4 2 B13R1.337 O=C(O)CCOCC1=CC=CC=C1 MC443424 [0,0,0,0,0,0|3,0,0]=3 3 B13R1.337 O=C(O)CCSCC1=CC=CC=C1 MC439151 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.8 CCCCCCC1=CC=NC=C1 CS17088 [1,0,0,0,0,0|2,0,1]=4 5 B12R1.8 CNCCNCC1=CC=CC=C1 MC107809 [1,0,0,0,0,0|3,0,0]=4 6 B12R1.8 OCCCCCC1=CC=CC=C1 MC443206 [1,0,0,0,0,0|1,0,2]=4 7 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 MC21009 [0,1,0,0,0,0|2,0,1]=4 8 B14R1.677 CC(=O)NCCOC1=CC=C(I)C=C1 MC112559 [0,1,0,0,0,0|2,0,0]=3 9 B14R1.677 CC1=CC=C(CSCCC(=O)O)C=C1 MC437973 [0,1,0,0,0,0|3,0,0]=4 10 B14R1.6449 CC(=O)N(C)CCCC1=CC=CC=C1 MC425591 [0,1,0,0,0,0|1,0,0]=2 11 B14R1.6449 NC(CCCC1=CC=CC=C1)C(=O)O CS11537 [0,1,0,0,0,0|2,0,0]=3 12 B14R1.6449 NC(COCC1=CC=CC=C1)C(=O)O CS14501 [0,1,0,0,0,0|3,0,0]=4 13 B14R1.6449 NC(COCC1=CC=CC=C1)C(=O)O CS18577 [0,1,0,0,0,0|3,0,0]=4 14 B14R1.6449 NC(CSCc1ccccc1)C(=O)O MC436898 [0,1,0,0,0,0|3,0,0]=4 15 B14R1.6449 NC(CSCc1ccccc1)C(=O)O MC436899 [0,1,0,0,0,0|3,0,0]=4 16 B14R2.2 CC(=O)OC1=CNC2=CC=CC=C21 MC426069 [0,0,0,1,0,0|1,0,2]=4 17 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 CS22300 [0,0,0,1,0,0|2,0,0]=3 18 B14R2.19 O=C1NC(CC2=CC=CC=C2)CO1 CS10013 [0,0,0,1,0,0|1,0,0]=2 19 B14R2.19 O=C1NC(CC2=CC=CC=C2)CO1 CS10014 [0,0,0,1,0,0|1,0,0]=2 20 B14R2.19 S=C1NC(CC2=CC=CC=C2)CO1 MC114954 [0,0,0,1,0,0|1,1,0]=3 21 B14R2.21 O=C1CC(C2=CC=CC=C2)CCN1 CS15109 [0,0,0,1,0,0|1,0,0]=2 22 B14R2.21 O=C1CCCC(C2=CC=CC=C2)N1 MC116196 [0,0,0,1,0,0|2,0,0]=3 23 B14R2.21 O=C1CCCC(C2=CC=NC=C2)C1 MC106126 [0,0,0,1,0,0|2,0,0]=3 24 B14R2.21 O=C1CCNC(C2=CC=CC=C2)C1 MC106734 [0,0,0,1,0,0|2,0,0]=3 25 B14R2.21 O=C1CCOC(C2=CC=CC=C2)C1 CS21738 [0,0,0,1,0,0|2,0,0]=3 26 B14R2.436 O=C1CC(OCC2=CC=CC=C2)C1 CS12839 [0,0,0,1,0,0|2,0,0]=3 27 B14R2.31359 O=C(O)C1CCCC2=CC=CC=C21 CS11412 [0,0,0,1,0,0|2,0,0]=3 28 B14R2.31359 O=C(O)C1NCCC2=CC=CC=C21 CS11277 [0,0,0,1,0,0|3,0,0]=4 29 B14R2.31359 O=C(O)C1NCCC2=CC=CC=C21 MC106696 [0,0,0,1,0,0|3,0,0]=4 30 B12R1.252 CC(=O)OCCC1=CC=CC=C1 MC40009 [0,0,0,0,1,0|0,0,0]=1 31 B12R1.252 CC(C)=CCSC1=CC=CC=C1 MC41831 [0,0,0,0,1,0|2,0,1]=4 32 B12R1.252 CC(O)COCC1=CC=CC=C1 CS20248 [0,0,0,0,1,0|1,0,2]=4 33 B12R1.252 CN(C)CCOC1=CC=CC=C1 CS11261 [0,0,0,0,1,0|3,0,0]=4 34 B12R1.252 NC(=S)COCC1=CC=CC=C1 MC430689 [0,0,0,0,1,0|2,1,0]=4 35 B12R1.252 O=C(O)CCCC1=NC=CC=C1 CS12802 [0,0,0,0,1,0|2,0,0]=3 36 B12R1.252 O=C(O)CCOC1=CC=CC=C1 MC40204 [0,0,0,0,1,0|2,0,0]=3 37 B12R1.252 O=C(O)CNCC1=CC=CC=C1 CS21182 [0,0,0,0,1,0|2,0,0]=3 38 B12R1.252 O=C(O)CNCC1=NC=CC=C1 MC105962 [0,0,0,0,1,0|3,0,0]=4 39 B12R1.252 O=C(O)COCC1=CC=CC=C1 CS14115 [0,0,0,0,1,0|2,0,0]=3 40 B11R1.28 C=CCOCC1=CC=CC=C1 MC425090 [2,0,0,0,0,0|1,0,1]=4 41 B11R1.28 CNCCCC1=CC=CC=C1 MC425598 [2,0,0,0,0,0|1,0,0]=3 42 B11R1.28 CNCCCC1=NC=CC=C1 MC430496 [2,0,0,0,0,0|2,0,0]=4 43 B11R1.28 O=CCOCC1=CC=CC=C1 MC429084 [2,0,0,0,0,0|1,0,0]=3 44 B11R1.28 OCCCCC1=CC=CC=C1 CS11170 [2,0,0,0,0,0|0,0,2]=4 45 B13R1.9 CCCCCCC1=CC=C(N)C=C1 CS22853 [1,1,0,0,0,0|1,0,1]=4 46 B13R1.28 OCCOCCOC1=CC=CC=C1 MC428188 [1,1,0,0,0,0|1,0,1]=4 47 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 CS22116 [0,1,0,0,1,0|1,0,1]=4 48 B13R1.149 O=C(O)CCOC1=CC(F)=CC=C1 MC425447 [0,1,0,0,1,0|2,0,0]=4 49 B13R1.348 CN(CC(=O)[O-])CC1=CC=CC=C1 MC106249 [0,1,0,0,1,0|2,0,0]=4 50 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 CS11157 [0,1,0,0,1,0|1,0,0]=3 51 B13R1.351 CC(OCC1=CC=CC=C1)C(=O)O CS17364 [0,1,0,0,1,0|2,0,0]=4 52 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O CS11152 [0,1,0,0,1,0|1,0,0]=3 53 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O MC437761 [0,1,0,0,1,0|1,0,0]=3 54 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O MC437762 [0,1,0,0,1,0|1,0,0]=3 55 B13R1.351 NC(CSc1ccccc1)C(=O)O MC436913 [0,1,0,0,1,0|2,0,0]=4 56 B13R1.351 NC(C[Se]C1=CC=CC=C1)C(=O)O MC435422 [0,1,0,0,1,0|2,0,0]=4 57 B13R1.351 O=C(O)C(O)CCC1=CC=CC=C1 CS11117 [0,1,0,0,1,0|1,0,0]=3 58 B13R1.351 O=C(O)C(O)CCC1=CC=CC=C1 CS11118 [0,1,0,0,1,0|1,0,0]=3 59 B13R1.513 NC1=CC=C(CCCC(=O)O)C=C1 CS11150 [0,1,0,0,1,0|1,0,0]=3 60 B13R1.513 O=C(O)CCCC1=CC=C(F)C=C1 CS11085 [0,1,0,0,1,0|1,0,0]=3 61 B13R1.513 O=C(O)CCCC1=CC=C(O)C=C1 CS15672 [0,1,0,0,1,0|1,0,0]=3 62 B13R1.513 O=C(O)CCOC1=CC=C(F)C=C1 MC41824 [0,1,0,0,1,0|2,0,0]=4 63 B15R1.962 COC(=O)CCCNCC1=CC=CC=C1 MC442446 [0,1,0,0,0,1|1,0,0]=3 64 B15R1.3664 NC(CCOCC1=CC=CC=C1)C(=O)O MC427455 [0,1,0,0,0,1|2,0,0]=4 65 B15R1.959 COC(=O)CCCC(=O)C1=CC=CC=C1 MC20148 [0,2,0,0,0,0|1,0,1]=4 66 B15R1.1321 COC(=O)C(Br)COCC1=CC=CC=C1 MC112408 [0,2,0,0,0,0|2,0,0]=4 67 B15R1.1321 COC(=O)C(N)COCc1ccccc1 MC438171 [0,2,0,0,0,0|2,0,0]=4 68 B13R2.3 C1=CC=C(C2CCCCC2)C=C1 CS19345 [1,0,0,1,0,0|1,0,1]=4 69 B13R2.3 C1=CC=C(C2CCCNC2)C=C1 MC105744 [1,0,0,1,0,0|2,0,0]=4 70 B13R2.3 C1=CC=C(C2CCNCC2)C=C1 CS19654 [1,0,0,1,0,0|1,0,1]=4 71 B13R2.3 C1=CC=C(N2CCOCC2)C=C1 CS16282 [1,0,0,1,0,0|1,0,1]=4 72 B13R2.64 C1=CC=C(CN2CC=CC2)C=C1 CS20621 [1,0,0,1,0,0|2,0,0]=4 73 B13R2.5252 C=C1CCCCC2=C1C=CC=C2 CS17849 [1,0,0,1,0,0|1,0,1]=4 74 B13R2.5252 O=C1CCCCC2=C1C=CC=C2 MC20683 [1,0,0,1,0,0|1,0,0]=3 75 B13R2.5252 O=C1CCCNC2=C1C=CC=C2 CS11086 [1,0,0,1,0,0|2,0,0]=4 76 B13R2.10 O=C1CC(C2=CC=CC=C2)CN1 CS13543 [0,0,0,1,1,0|1,0,0]=3 77 B13R2.10 O=C1CCC(C2=CC=NC=C2)C1 MC106176 [0,0,0,1,1,0|1,0,0]=3 78 B13R2.10 O=C1CCC(C2=NC=CC=C2)C1 MC106175 [0,0,0,1,1,0|1,0,0]=3 79 B13R2.10 O=C1NC(C2=CC=CC=C2)CO1 CS11041 [0,0,0,1,1,0|1,0,0]=3 80 B13R2.10 O=C1NC(C2=CC=CC=C2)CO1 CS11043 [0,0,0,1,1,0|1,0,0]=3 81 B13R2.72 O=C(O)C1CCC2=CC=CC=C21 CS20735 [0,0,0,1,1,0|1,0,0]=3 82 B13R2.72 O=C(O)C1CNC2=CC=CC=C21 MC106638 [0,0,0,1,1,0|2,0,0]=4 83 B13R2.163 O=C1CCCC2=C(C=CC=C2)N1 CS10012 [0,0,0,1,1,0|1,0,0]=3 84 B13R2.163 O=C1COCC2=C(C=CC=C2)N1 MC431588 [0,0,0,1,1,0|2,0,0]=4 85 B13R2.423 O=C(O)C1CC1C2=NC=CC=C2 MC107177 [0,0,0,1,1,0|2,0,0]=4 86 B13R2.423 O=[N+]([O-])C1CC1C2=CC=CC=C2 MC106452 [0,0,0,1,1,0|2,0,0]=4 87 B15R2.31 O=C1CCCN(CC2=CC=CC=C2)C1 CS16761 [0,0,0,1,0,1|1,0,0]=3 88 B15R2.31 O=C1CCCN(CC2=CC=CC=C2)C1 MC10133 [0,0,0,1,0,1|1,0,0]=3 89 B15R2.31 O=C1CCNC(CC2=CC=CC=C2)C1 MC106735 [0,0,0,1,0,1|1,0,0]=3 90 B15R2.31 O=C1CN(CC2=CC=CC=C2)CCO1 MC442304 [0,0,0,1,0,1|0,0,0]=2 91 B15R2.63 O=C(O)C1NCCC1C2=CC=CC=C2 MC100327 [0,0,0,1,0,1|2,0,0]=4 92 B15R2.63 O=C(O)C1NCCC1C2=CC=CC=C2 MC20862 [0,0,0,1,0,1|2,0,0]=4 93 B15R2.617 C=C1CC(COCC2=CC=CC=C2)C1 MC105129 [0,0,0,1,0,1|2,0,0]=4 94 B15R2.29 O=C1CCC(CC2=CC=CC=C2)CC1 MC106762 [0,1,0,1,0,0|1,0,0]=3 95 B15R2.29 O=C1CCN(CC2=CC=CC=C2)CC1 CS11701 [0,1,0,1,0,0|2,0,0]=4 96 B15R2.325 CC1CC(=O)CN1CC2=CC=CC=C2 MC33311 [0,1,0,1,0,0|2,0,0]=4 97 B11R1.91 CC(=O)COC1=CC=CC=C1 MC433248 [0,0,0,0,2,0|1,0,0]=3 98 B11R1.91 CC(=O)OCC1=CC=CN=C1 MC33425 [0,0,0,0,2,0|1,0,0]=3 99 B11R1.91 CN(C)CCC1=CC=CC=C1 MC446671 [0,0,0,0,2,0|2,0,0]=4 100 B11R1.91 NC(=O)OCC1=CC=CC=C1 MC428066 [0,0,0,0,2,0|1,0,0]=3 101 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 MC42251 [0,0,0,0,2,0|1,0,0]=3 102 B11R1.91 O=C(O)CNc1ccccc1 MC439073 [0,0,0,0,2,0|2,0,0]=4 103 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CS20444 [0,0,0,0,2,0|2,0,0]=4 104 B11R1.172 O=C(O)CCCC1=CC=CS1 MC443875 [0,0,0,0,2,0|2,0,0]=4