0 B14R2.7724 CN1C(=O)C=C(O)C2=CC=CC=C21 2193680 [0,0,0,0,0,0|0,0,0]=0 1 B14R2.7724 CN1C(=O)OC(=O)C2=CC=CC=C21 1220668 [0,0,0,0,0,0|1,0,1]=2 2 B13R2.32 CN1C(=O)CCC2=C1C=CC=C2 1888483 [1,0,0,0,0,0|0,0,2]=3 3 B13R2.32 NC1=C(Br)C2=CC=CC=C2C=C1 3358330 [1,0,0,0,0,0|3,0,0]=4 4 B13R2.32 O=C1C=CC2=C(C=CC=C2)C1=O 2821948 [1,0,0,0,0,0|2,0,0]=3 5 B13R2.328 CC1=CC(=O)C2=CC=CC=C2N1 2822318 [1,0,0,0,0,0|1,0,1]=3 6 B13R2.328 CC1=NC(O)=C2C=CC=CC2=N1 7119572490 [1,0,0,0,0,0|2,0,1]=4 7 B13R2.328 CC1=NC2=CC=CC=C2C(O)=C1 1088486 [1,0,0,0,0,0|1,0,1]=3 8 B13R2.328 O=C1C=C(O)C2=CC=CC=C2N1 7020542827 [1,0,0,0,0,0|0,0,0]=1 9 B13R2.328 O=C1NC(=O)C2=CC=CC=C2N1 7119870048 [1,0,0,0,0,0|1,0,1]=3 10 B13R2.328 O=C1NC(=S)NC2=C1C=CC=C2 1287918 [1,0,0,0,0,0|1,1,1]=4 11 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 2832707 [1,0,0,0,0,0|1,0,1]=3 12 B13R2.371 CC1=CC=C(N)C2=CC=CC=C12 1507923 [1,0,0,0,0,0|2,0,0]=3 13 B13R2.371 O=C1C=CC(=O)C2=C1C=CC=C2 2831014 [1,0,0,0,0,0|2,0,1]=4 14 B13R2.371 OC1=C2C=CC=CC2=C(O)C=C1 2822756 [1,0,0,0,0,0|2,0,0]=3 15 B15R2.6124 CCN1C(=O)C=C(O)C2=C1C=CC=C2 9080279 [0,1,0,0,0,0|0,0,0]=1 16 B15R2.6124 CCN1C(=O)OC(=O)C2=CC=CC=C21 1220669 [0,1,0,0,0,0|1,0,1]=3 17 B15R2.61763 CC1(C)C(=O)NC(=O)C2=CC=CC=C21 2049255 [0,1,0,0,0,0|2,0,1]=4 18 B13R1.11 COC(=O)CC(=O)C1=CC=CC=C1 1781365 [0,0,1,0,0,0|1,0,2]=4 19 B13R2.3085 CC1=C(Br)C2=CC=CC=C2N1C 1361131 [0,0,0,0,1,0|2,0,0]=3 20 B13R2.3085 CN1C(=O)N(C)C2=C1C=CC=C2 7119561799 [0,0,0,0,1,0|2,0,0]=3 21 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 11186114 [1,0,1,0,0,0|1,0,0]=3 22 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 1902541 [1,0,1,0,0,0|0,0,2]=4 23 B12R1.107 CC(=O)\C=C(/[OH2+])C1=CC=CC=C1 7015160012 [1,0,1,0,0,0|0,0,1]=3 24 B12R1.107 C\C(=C/C(=O)O)C1=CC=CC=C1 1041772 [1,0,1,0,0,0|2,0,0]=4 25 B12R1.34 CCC(=O)N(C)C1=CC=CC=C1 7020290661 [1,0,1,0,0,0|0,0,2]=4 26 B12R1.34 CN(C(=O)CCl)C1=CC=CC=C1 1782314 [1,0,1,0,0,0|1,0,1]=4 27 B12R2.24 CC1=CC2=C(C=CC=C2)C=C1 2827789 [2,0,0,0,0,0|2,0,0]=4 28 B12R2.24 CC1=NC2=C(C=CC=C2)C=C1 2827938 [2,0,0,0,0,0|1,0,1]=4 29 B12R2.24 FC1=CC2=CC=CC=C2C=C1 5011242 [2,0,0,0,0,0|2,0,0]=4 30 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 2828560 [2,0,0,0,0,0|1,0,0]=3 31 B12R2.24 O=C1C=NC2=CC=CC=C2N1 7020204758 [2,0,0,0,0,0|1,0,0]=3 32 B12R2.24 O=C1CCC2=CC=CC=C2N1 1655132 [2,0,0,0,0,0|0,0,2]=4 33 B12R2.24 O=C1CNC2=CC=CC=C2N1 0111910003 [2,0,0,0,0,0|1,0,1]=4 34 B12R2.24 O=C1COC2=CC=CC=C2N1 7020041238 [2,0,0,0,0,0|1,0,1]=4 35 B12R2.24 O=C1CSC2=C(C=CC=C2)N1 7119930006 [2,0,0,0,0,0|1,0,1]=4 36 B12R2.24 OC1=CC2=C(C=CC=C2)C=C1 2828139 [2,0,0,0,0,0|1,0,1]=4 37 B12R2.24 SC1=CC2=CC=CC=C2C=C1 1556415 [2,0,0,0,0,0|1,1,0]=4 38 B12R2.1081 CC1=C2C=CC=CC2=NC=C1 2827940 [2,0,0,0,0,0|1,0,1]=4 39 B12R2.1081 CC1=C2N=CC=CC2=CC=C1 2827942 [2,0,0,0,0,0|2,0,0]=4 40 B12R2.1081 ClC1=C2C=CC=CC2=NC=C1 2823586 [2,0,0,0,0,0|1,0,1]=4 41 B12R2.1081 NC1=CC=CC2=CC=CC=C12 1507828 [2,0,0,0,0,0|2,0,0]=4 42 B12R2.1081 O=C1C=CNC2=CC=CC=C12 3644587 [2,0,0,0,0,0|0,0,1]=3 43 B12R2.1081 O=C1C=NNC2=CC=CC=C12 7020542795 [2,0,0,0,0,0|1,0,1]=4 44 B12R2.1081 OC1=C2C=CC=CC2=NC=C1 2819403 [2,0,0,0,0,0|0,0,1]=3 45 B12R2.1081 OC1=C2N=CC=CC2=CC=C1 2828333 [2,0,0,0,0,0|2,0,0]=4 46 B12R2.1081 OC1=CC=CC2=CC=CC=C12 1507830 [2,0,0,0,0,0|1,0,0]=3 47 B14R2.4513 CN1C(=O)COC2=C1C=C(N)C=C2 7020410114 [1,1,0,0,0,0|1,0,1]=4 48 B14R2.4513 CN1C(=O)COC2=CC=C(N)C=C21 7020710003 [1,1,0,0,0,0|1,0,1]=4 49 B14R2.8038 CN1C(=O)COC2=C(N)C=CC=C21 1112134 [1,1,0,0,0,0|1,0,1]=4 50 B14R2.8188 CC1=CC2=CC=CC=C2N(C)C1=O 7571174 [1,1,0,0,0,0|0,0,0]=2 51 B14R2.29369 CN1C(=O)CCC2=C1C=CC(Br)=C2 1918463 [1,1,0,0,0,0|0,0,2]=4 52 B14R2.29369 CN1C(=O)CCC2=C1C=CC(N)=C2 1562204 [1,1,0,0,0,0|0,0,2]=4 53 B14R2.29369 CN1C(=O)COC2=CC(N)=CC=C21 7020710002 [1,1,0,0,0,0|1,0,1]=4 54 B14R2.1146 CC1=NC2=C(C=CC=C2)C(CO)=C1 2659358 [1,1,0,0,0,0|1,0,1]=4 55 B14R2.1146 NCC1=CC(=O)NC2=CC=CC=C12 1198887 [1,1,0,0,0,0|1,0,0]=3 56 B14R2.1146 NNC1=CC(=O)OC2=C1C=CC=C2 7110952632 [1,1,0,0,0,0|2,0,0]=4 57 B14R2.1146 O=C1C=C(CBr)C2=CC=CC=C2N1 1034037 [1,1,0,0,0,0|1,0,0]=3 58 B14R2.8045 CC1=C2OC(=O)C=C(O)C2=CC=C1 6850304 [1,1,0,0,0,0|1,0,0]=3 59 B14R2.8045 CC1=CC(=O)C2=C(N1)C(Cl)=CC=C2 2959158 [1,1,0,0,0,0|1,0,1]=4 60 B14R2.8045 CC1=CC(=O)NC2=C(C)C=CC=C12 7569341 [1,1,0,0,0,0|1,0,0]=3 61 B14R2.8045 CC1=CC(=S)NC2=C(C)C=CC=C12 7020366386 [1,1,0,0,0,0|1,1,0]=4 62 B14R2.8045 CC1=NC2=C(O)C=CC=C2C(O)=C1 7020542471 [1,1,0,0,0,0|1,0,1]=4 63 B14R2.8235 CC1=CC(=O)C2=C(C=CC(F)=C2)N1 2838703 [1,1,0,0,0,0|1,0,1]=4 64 B14R2.8235 CC1=CC(=O)C2=CC(Br)=CC=C2N1 2523251 [1,1,0,0,0,0|1,0,1]=4 65 B14R2.8235 CC1=CC=C2N=C(C)C=C(O)C2=C1 7011830090 [1,1,0,0,0,0|1,0,1]=4 66 B14R2.8235 CC1=CC=C2OC(=O)C=C(O)C2=C1 1392626 [1,1,0,0,0,0|1,0,0]=3 67 B14R2.8235 CC1=NC2=CC=C(Br)C=C2C(O)=C1 7013060576 [1,1,0,0,0,0|1,0,1]=4 68 B14R2.8235 CC1=NC2=CC=C(Cl)C=C2C(O)=C1 7011830097 [1,1,0,0,0,0|1,0,1]=4 69 B14R2.8235 CC1=NC2=CC=C(F)C=C2C(O)=C1 7015580001 [1,1,0,0,0,0|1,0,1]=4 70 B14R2.8235 CC1=NC2=CC=C(O)C=C2C(O)=C1 2630822 [1,1,0,0,0,0|1,0,1]=4 71 B14R2.8235 O=C1C=C(O)C2=CC(F)=CC=C2O1 5009339 [1,1,0,0,0,0|1,0,0]=3 72 B14R2.29365 CC1=CC(=O)NC2=CC(Br)=CC=C12 5946936 [1,1,0,0,0,0|1,0,0]=3 73 B14R2.29365 CC1=CC(=O)OC2=C1C=CC(O)=C2 7117171611 [1,1,0,0,0,0|2,0,0]=4 74 B14R2.8716 CN1C(=O)C(=O)C2=C1C=CC(Br)=C2 0125160140 [0,1,0,0,1,0|0,0,1]=3 75 B14R2.8716 CN1C(=O)C(N)C2=CC(Br)=CC=C21 1117845 [0,1,0,0,1,0|1,0,1]=4 76 B14R2.8716 CN1C(=O)N(C)C2=CC(N)=CC=C21 6850671 [0,1,0,0,1,0|2,0,0]=4 77 B14R2.19306 CC1=C(C=O)C2=C(C=CC=C2)N1C 2846012 [0,1,0,0,1,0|1,0,1]=4 78 B16R2.8682 CN1C(=O)C(C#N)=C(O)C2=C1C=CC=C2 1089956 [0,2,0,0,0,0|0,0,0]=2 79 B16R2.22312 CN1C(=O)C=C(C(=O)O)C2=C1C=CC=C2 2127966 [0,2,0,0,0,0|0,0,0]=2 80 B14R2.21 O=C1C=C(C2=CC=CC=C2)N=CN1 7020361152 [0,0,1,1,0,0|1,0,1]=4 81 B14R2.24350 CN1C=NC2=C1C(C(=O)O)=CC=C2 11186685 [0,0,1,1,0,0|2,0,0]=4 82 B12R2.18 CC1=CC2=CC=CC=C2N1C 3458594 [1,0,0,0,1,0|1,0,0]=3 83 B12R2.18 CC1C(=O)NC2=C1C=CC=C2 4247509 [1,0,0,0,1,0|2,0,0]=4 84 B12R2.18 CN1C(=O)NC2=C1C=CC=C2 1435637 [1,0,0,0,1,0|1,0,0]=3 85 B12R2.18 CN1C(S)=NC2=C1C=CC=C2 7119620350 [1,0,0,0,1,0|1,1,0]=4 86 B12R2.2028 O=C1NC(=O)C2=CC=CC=C12 1195498 [1,0,0,0,1,0|1,0,1]=4 87 B12R2.2028 O=C1OC(=O)C2=CC=CC=C12 2828876 [1,0,0,0,1,0|1,0,1]=4 88 B12R2.2028 O=C1[N-]C(=O)C2=C1C=CC=C2 2889482 [1,0,0,0,1,0|1,0,1]=4 89 B14R2.287 O=C1CNC(=O)C2=C(C=CC=C2)N1 1099353 [1,0,0,0,0,1|0,0,2]=4