0 B13R2.328 CC1=CC(=O)C2=CC=CC=C2N1 2822318 [0,0,0,0,0,0|4,0,0]=4 1 B13R2.328 CC1=NC2=NC=CC=C2C(=O)O1 6666757 [0,0,0,0,0,0|4,0,0]=4 2 B13R2.328 O=C1NC(=O)C2=CC=CC=C2N1 7119870048 [0,0,0,0,0,0|3,0,1]=4 3 B13R2.328 O=C1NC(=S)NC2=C1C=CC=C2 1287918 [0,0,0,0,0,0|3,1,0]=4 4 B13R2.328 O=C1NC(S)=NC2=CC=CC=C12 4434909 [0,0,0,0,0,0|3,1,0]=4 5 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 2832707 [0,0,0,0,0,0|2,0,1]=3 6 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 2828560 [1,0,0,0,0,0|2,0,1]=4 7 B12R2.24 OC1=CC2=C(C=CC=C2)C=C1 2828139 [1,0,0,0,0,0|3,0,0]=4 8 B12R2.1081 O=C1C=CNC2=CC=CC=C12 3644587 [1,0,0,0,0,0|3,0,0]=4 9 B12R2.1081 O=C1C=NNC2=CC=CC=C12 7020542795 [1,0,0,0,0,0|3,0,0]=4 10 B12R2.1081 O=C1CCCC2=C1C=CC=C2 1202501 [1,0,0,0,0,0|3,0,0]=4 11 B12R2.1081 O=C1CCNC2=CC=CC=C12 1366766 [1,0,0,0,0,0|3,0,0]=4 12 B12R2.1081 O=C1CCOC2=CC=CC=C12 1392616 [1,0,0,0,0,0|2,0,0]=3 13 B12R2.1081 O=C1NC=CC2=CC=CC=C12 1522001 [1,0,0,0,0,0|3,0,0]=4 14 B12R2.1081 O=C1NC=NC2=CC=CC=C12 7010010203 [1,0,0,0,0,0|3,0,0]=4 15 B12R2.1081 O=C1NN=CC2=C1C=CC=C2 3463424 [1,0,0,0,0,0|3,0,0]=4 16 B12R2.1081 O=C1NN=NC2=CC=CC=C12 7015160142 [1,0,0,0,0,0|3,0,0]=4 17 B14R2.7724 CN1C(=O)OC(=O)C2=CC=CC=C21 1220668 [0,1,0,0,0,0|2,0,1]=4 18 B14R2.8235 CC1=NC2=CC=C(Br)C=C2C(=O)O1 5012401 [0,1,0,0,0,0|3,0,0]=4 19 B14R2.29496 CC1(C)CC(=O)C2=C(C=CC=C2)O1 7020361143 [0,1,0,0,0,0|3,0,0]=4 20 B12R1.283 CCNC1=C(C(=O)O)C=CC=C1 7119850653 [0,0,1,0,0,0|3,0,0]=4 21 B12R1.283 CCOC1=C(C(C)=O)C=CC=C1 7016233988 [0,0,1,0,0,0|3,0,0]=4 22 B12R1.308 CCOC(=O)C1=C(C)C=CC=C1 2832924 [0,0,1,0,0,0|3,0,0]=4 23 B12R1.308 CCOC(=O)C1=C(N)C=CC=C1 1867347 [0,0,1,0,0,0|3,0,0]=4 24 B12R2.18 CN1CC2=C(C=CC=C2)C1=O 6338564 [0,0,0,0,1,0|3,0,0]=4 25 B12R2.18 O=C1NC2=CC=CC=C2C1=O 2828769 [0,0,0,0,1,0|2,0,1]=4 26 B12R2.2028 O=C1NC(=O)C2=CC=CC=C12 1195498 [0,0,0,0,1,0|2,0,1]=4 27 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 2828876 [0,0,0,0,1,0|1,0,1]=3 28 B12R2.2028 O=C1[N-]C(=O)C2=C1C=CC=C2 2889482 [0,0,0,0,1,0|2,0,1]=4 29 B11R1.53 COC1=C(C(=O)O)C=CC=C1 1779305 [1,0,1,0,0,0|1,0,0]=3 30 B11R1.53 COC1=C(C(C)=O)C=CC=C1 1505978 [1,0,1,0,0,0|2,0,0]=4 31 B11R1.53 COC1=CC=CC=C1C(=O)Cl 1051716 [1,0,1,0,0,0|2,0,0]=4 32 B11R1.53 COC1=CC=CN=C1C(=O)O 22430297 [1,0,1,0,0,0|2,0,0]=4 33 B11R1.53 NNC1=CC=CC=C1C(=O)O 7020542803 [1,0,1,0,0,0|2,0,0]=4 34 B11R1.53 O=C(O)C1=C(NO)C=CC=C1 11185879 [1,0,1,0,0,0|1,0,0]=3 35 B11R1.53 O=CC1=CC=CC=C1C(=O)O 7018801964 [1,0,1,0,0,0|1,0,1]=4 36 B11R1.53 O=NC1=CC=CC=C1C(=O)O 3355188 [1,0,1,0,0,0|1,0,1]=4 37 B11R1.222 COC(=O)C1=C(F)C=CC=C1 2829710 [1,0,1,0,0,0|2,0,0]=4 38 B11R1.222 COC(=O)C1=C(N)C=CC=C1 1867348 [1,0,1,0,0,0|2,0,0]=4 39 B11R1.222 COC(=O)C1=C(N)C=CC=C1 7138607 [1,0,1,0,0,0|2,0,0]=4 40 B11R1.222 COC(=O)C1=C(O)C=CC=C1 1311035 [1,0,1,0,0,0|1,0,0]=3 41 B11R1.222 COC(=O)C1=C(S)C=CC=C1 2824881 [1,0,1,0,0,0|1,1,0]=4 42 B11R1.222 COC(=O)C1=CC=CC=C1C 2084120 [1,0,1,0,0,0|2,0,0]=4 43 B11R1.222 COC(=O)C1=CC=CC=C1Cl 2084248 [1,0,1,0,0,0|2,0,0]=4 44 B11R1.222 O=C(NO)C1=CC=CC=C1O 7119720021 [1,0,1,0,0,0|1,0,0]=3 45 B13R1.572 O=C(O)C1=C(NCCO)C=CC=C1 7119850442 [0,1,1,0,0,0|2,0,0]=4 46 B13R1.446 CCOC(=O)C1=C(O)C=CC(C)=C1 2839950 [0,1,1,0,0,0|2,0,0]=4 47 B13R2.342 CC1=C2OC=CC(=O)C2=CC=C1 5899706 [1,1,0,0,0,0|2,0,0]=4 48 B13R2.342 O=C1CCOC2=C(Cl)C=CC=C12 1782200 [1,1,0,0,0,0|2,0,0]=4 49 B13R2.3085 O=C1C2=CC=CC=C2C(=O)N1O 7217960092 [0,1,0,0,1,0|2,0,0]=4 50 B13R2.4857 O=C1OC(=O)C2=C(Cl)C=CC=C12 22430543 [0,1,0,0,1,0|1,0,1]=4 51 B13R2.5187 CC1=CC=C2C(=O)OC(=O)C2=C1 2832536 [0,1,0,0,1,0|1,0,1]=4 52 B13R2.5187 O=C1OC(=O)C2=CC(Br)=CC=C12 3116496 [0,1,0,0,1,0|1,0,1]=4 53 B15R2.14951 O=C(O)C1=CC(=O)C2=C(C=CC=C2)O1 2933498 [0,2,0,0,0,0|2,0,0]=4 54 B11R1.36 O=C(C1=CC=CC=C1)C(O)O 12405446 [0,0,1,0,1,0|1,0,0]=3 55 B13R1.90 O=CC1=C(OCC(=O)O)C=CC=C1 2849554 [0,0,1,0,0,1|1,0,1]=4