0 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 2849134 [0,0,0,0,0,0|1,0,1]=2 1 B13R1.42 CCOC(=O)COC1=CC=CC=C1 2849583 [0,0,0,0,0,0|1,0,1]=2 2 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 22430693 [0,0,0,0,0,0|0,0,0]=0 3 B13R1.42 CCOC(=O)\C=C\C1=CC=NC=C1 5916708 [0,0,0,0,0,0|1,0,0]=1 4 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 11186114 [1,0,0,0,0,0|0,0,0]=1 5 B12R1.27 COC(=O)\C=C\C1=CN=CN=C1 7138612 [1,0,0,0,0,0|2,0,0]=3 6 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 4764459 [1,0,0,0,0,0|1,0,2]=4 7 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 3585822 [1,0,0,0,0,0|2,0,1]=4 8 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 0104820635 [1,0,0,0,0,0|2,0,1]=4 9 B12R1.27 O=C(CO)NCC1=CC=CC=C1 1015681 [1,0,0,0,0,0|2,0,1]=4 10 B12R1.27 [NH3+]CC(=O)OCC1=CC=CC=C1 15298737 [1,0,0,0,0,0|2,0,1]=4 11 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 1784001 [0,1,0,0,0,0|0,0,1]=2 12 B14R1.156 [NH3+]CCCC(=O)OCC1=CC=CC=C1 15298756 [0,1,0,0,0,0|2,0,1]=4 13 B14R1.502 CCOC(=O)CNC1=CC=C(Cl)C=C1 3028978 [0,1,0,0,0,0|1,0,1]=3 14 B14R1.502 CCOC(=O)COC1=CC=C(Cl)C=C1 3010004 [0,1,0,0,0,0|1,0,1]=3 15 B14R1.502 CCOC(=O)\C=C\C1=CC=C(N)N=C1 6850297 [0,1,0,0,0,0|1,0,0]=2 16 B14R2.21 O=C1C=C(C2=CC=CC=C2)N=CN1 7020361152 [0,0,0,1,0,0|2,0,1]=4 17 B12R1.32 CCOC(=O)CC1=CC=CC=C1 1902606 [0,0,0,0,1,0|0,0,1]=2 18 B12R1.32 COCC(=O)NC1=CC=CC=C1 5441566 [0,0,0,0,1,0|3,0,0]=4 19 B12R1.32 O=C(CCCl)NC1=CC=CC=C1 1194691 [0,0,0,0,1,0|3,0,0]=4 20 B12R1.32 O=C(CCS)NC1=CC=CC=C1 1864080 [0,0,0,0,1,0|3,0,0]=4 21 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 1864119 [0,0,0,0,0,1|0,0,2]=3 22 B14R1.520 CCOC(=O)COCC1=CC=CC=C1 2852467 [0,0,0,0,0,1|0,0,2]=3 23 B11R1.28 ClCC\C=C\C1=CC=CC=C1 1780230 [2,0,0,0,0,0|1,0,1]=4 24 B11R1.28 NCC\C=C\C1=CC=CC=C1 1366782 [2,0,0,0,0,0|1,0,1]=4 25 B11R1.91 CC(=O)CCC1=CC=CC=C1 1043589 [2,0,0,0,0,0|0,0,2]=4 26 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 2129779 [2,0,0,0,0,0|0,0,0]=2 27 B11R1.91 CC(O)\C=C\C1=CC=CC=C1 3355102 [2,0,0,0,0,0|0,0,2]=4 28 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 5009290 [2,0,0,0,0,0|1,0,0]=3 29 B11R1.91 O=C(Cl)\C=C\C1=CC=CC=C1 4787343 [2,0,0,0,0,0|1,0,0]=3 30 B11R1.91 O=C(O)CCC1=CC=CC=C1 7020400414 [2,0,0,0,0,0|0,0,2]=4 31 B11R1.91 O=C(O)CNC1=CC=CC=C1 1142601 [2,0,0,0,0,0|1,0,1]=4 32 B11R1.91 O=C(O)COC1=CC=CC=C1 7113231893 [2,0,0,0,0,0|1,0,1]=4 33 B11R1.91 O=C(O)CSC1=CC=CC=C1 7110950354 [2,0,0,0,0,0|1,0,1]=4 34 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 7020400360 [2,0,0,0,0,0|0,0,0]=2 35 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 1314146 [2,0,0,0,0,0|1,0,0]=3 36 B11R1.91 O=C(O)\C=C\C1=CN=CN=C1 2254538 [2,0,0,0,0,0|2,0,0]=4 37 B13R1.11 COC(=O)CC(=O)C1=CC=CC=C1 1781365 [1,1,0,0,0,0|0,0,1]=3 38 B13R1.11 COC(=O)CC(=O)C1=CC=NC=C1 2471798 [1,1,0,0,0,0|1,0,1]=4 39 B13R1.14 COC(=O)CCC1=CC=C(C)C=C1 1974332 [1,1,0,0,0,0|0,0,2]=4 40 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 3676678 [1,1,0,0,0,0|0,0,0]=2 41 B13R1.135 COC(=O)C(Br)CC1=CC=CC=C1 1156614 [1,1,0,0,0,0|0,0,2]=4 42 B13R1.135 COC(=O)C(Cl)CC1=CC=CC=C1 1512495 [1,1,0,0,0,0|0,0,2]=4 43 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 1311193 [1,1,0,0,0,0|0,0,2]=4 44 B13R1.351 O=C(O)C(=O)\C=C\C1=CC=CC=C1 2049032 [1,1,0,0,0,0|1,0,1]=4 45 B13R1.19 CCCC(=O)NC1=CC=C(O)C=C1 0104820604 [0,1,0,0,1,0|2,0,0]=4 46 B13R1.470 CCCC(=O)NC1=CC=CC=C1O 0104820602 [0,1,0,0,1,0|2,0,0]=4 47 B15R1.826 CCOC(=O)C(C)NCC1=CC=CC=C1 2950409 [0,1,0,0,0,1|0,0,2]=4 48 B15R1.10389 CCOC(=O)COC1=CC(OC)=CC=C1 2997142 [0,2,0,0,0,0|1,0,1]=4 49 B15R1.496 CC(C)OC(=O)C(N)CC1=CC=CC=C1 7138738 [0,2,0,0,0,0|0,0,2]=4 50 B15R1.640 CCOC(=O)\C(C#N)=C/C1=CC=CC=C1 971598 [0,2,0,0,0,0|0,0,0]=2 51 B15R1.768 CCOC(=O)COC1=C(C=O)C=CC=C1 2992692 [0,2,0,0,0,0|1,0,1]=4 52 B13R1.446 CCOC(=O)C1=C(N)C=CC(Br)=C1 2303834 [0,0,1,1,0,0|2,0,0]=4 53 B13R1.446 CCOC(=O)C1=C(O)C=CC(C)=C1 2839950 [0,0,1,1,0,0|1,0,1]=4 54 B13R2.1613 ClCC1=CC=CC2=CC=CC=C21 2083808 [1,0,0,1,0,0|2,0,0]=4 55 B13R2.10 NC1=CC(C2=CC=CC=C2)=NO1 7020410006 [1,0,0,1,0,0|2,0,0]=4 56 B13R2.10 O=C1CCN(C2=CC=CC=C2)N1 971809 [1,0,0,1,0,0|2,0,0]=4 57 B13R2.32 O=C1C=CC2=C(C=CC=C2)C1=O 2821948 [1,0,0,1,0,0|1,0,1]=4 58 B13R2.57 NCC1=NC2=CC=CC=C2C=C1 2224641 [1,0,0,1,0,0|2,0,0]=4 59 B13R2.135 CCN1C(=O)OC2=CC=CC=C21 1284655 [0,0,0,1,1,0|2,0,0]=4 60 B13R2.163 O=C1CCCC2=C(C=CC=C2)O1 7577009 [0,0,0,1,1,0|2,0,0]=4 61 B13R2.163 O=C1CCCC2=CC=CC=C2N1 1392632 [0,0,0,1,1,0|2,0,0]=4 62 B13R2.29 O=C1CCC\C1=C/C2=CC=CO2 11185889 [0,0,0,1,1,0|2,0,0]=4 63 B15R2.73 CCOC(=O)C1=NC=C2C=CC=CN21 7006169 [0,0,0,1,0,1|1,0,0]=3 64 B15R2.73 O=C(CCCl)C1=CNC2=C1C=CC=C2 3475892 [0,0,0,1,0,1|2,0,0]=4 65 B15R2.6124 CCN1C(=O)C=C(O)C2=C1C=CC=C2 9080279 [0,1,0,1,0,0|1,0,0]=3 66 B15R2.6124 CCN1C(=O)OC(=O)C2=CC=CC=C21 1220669 [0,1,0,1,0,0|2,0,0]=4 67 B15R2.1290 CCOC1=CC=C2N=CC=C(O)C2=C1 0109850006 [0,1,0,1,0,0|2,0,0]=4 68 B15R2.1356 CCOC(=O)C1=CC2=C(C=CC=C2)N1 7114011370 [0,1,0,1,0,0|0,0,0]=2 69 B15R2.1356 CCOC(=O)C1=CC2=C(C=CC=C2)O1 2933520 [0,1,0,1,0,0|0,0,0]=2 70 B15R2.1356 CCOC(=O)C1=CC2=NC=CC=C2N1 6851338 [0,1,0,1,0,0|1,0,0]=3 71 B15R2.1356 CCOC(=O)C1=CN2C=CC=CC2=N1 1314086 [0,1,0,1,0,0|1,0,0]=3 72 B15R2.352 N#CCOC1=CC2=CC=CC=C2C=C1 7012350677 [0,1,0,1,0,0|1,0,1]=4 73 B15R2.557 O=C1C=C(C2=CC=CC=C2F)C(=O)O1 6852000 [0,1,0,1,0,0|1,0,1]=4 74 B15R3.4266 C1=CC=C2N=C3NCCC3=CC2=C1 7020431182 [0,0,0,2,0,0|2,0,0]=4 75 B15R3.4266 C1=CC=C2N=C3OCCC3=CC2=C1 1113846 [0,0,0,2,0,0|1,0,0]=3 76 B11R1.25 COC(=O)\C=C\C1=CC=CS1 5917968 [1,0,0,0,1,0|1,0,0]=3 77 B11R1.25 COC(=O)\C=C\C1=CSC=C1 6902370 [1,0,0,0,1,0|1,0,0]=3 78 B11R1.40 COC(=O)CC1=CC=CC=C1 1902120 [1,0,0,0,1,0|0,0,1]=3 79 B11R1.40 NCC(=O)NC1=CC=CC=C1 7020432301 [1,0,0,0,1,0|2,0,0]=4 80 B11R1.40 O=C(CCl)NC1=CC=CC=C1 1195629 [1,0,0,0,1,0|2,0,0]=4 81 B11R1.40 O=C(CO)NC1=CC=CC=C1 1015594 [1,0,0,0,1,0|2,0,0]=4 82 B11R1.40 O=C(CS)NC1=CC=CC=C1 7414270001 [1,0,0,0,1,0|2,0,0]=4 83 B15R1.778 CCOC(=O)CCCSC1=CC=CC=C1 5975651 [0,0,0,0,0,2|0,0,2]=4