0 B12R1.107 CC(=O)CC(=O)c1ccccc1 CUR-0102653 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.107 CC(=O)CC(=O)c1cccnc1 CUR-0016991 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.107 C[C@@H](c1ccccc1)NC(C)C CUR-0045830 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.107 C[C@H](c1ccccc1)NC(C)C CUR-0045829 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.16 CCCC(=O)c1ccccc1 CUR-0102314 [1,0,0,0,0,0|1,0,0]=2 5 B11R1.16 CCOC(=O)c1ccccc1 CUR-0008450 [1,0,0,0,0,0|0,0,0]=1 6 B11R1.16 CCOC(=O)c1cccnc1 CUR-0102393 [1,0,0,0,0,0|1,0,0]=2 7 B11R1.16 CCOC(=O)c1ccncc1 CUR-0102401 [1,0,0,0,0,0|1,0,0]=2 8 B11R1.16 c1ccc(cc1)C(=O)C=C[O-] CUR-0016463 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.16 c1ccc(cc1)C(=O)CC#N CUR-0029245 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.91 CC(=O)\C=C\c1ccccc1 CUR-0102279 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.91 CC(C)NCc1ccccc1 CUR-0102340 [1,0,0,0,0,0|1,0,1]=3 12 B11R1.91 CC(CCc1ccccc1)Br CUR-0007729 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.91 CC(CCc1ccccc1)N CUR-0102337 [1,0,0,0,0,0|2,0,1]=4 14 B13R2.328 Cc1cc(=O)c2ccccc2[nH]1 CUR-0100838 [0,0,0,1,0,0|2,0,1]=4 15 B13R2.328 c1ccc2c(c1)CC(=O)OC2=O CUR-0102648 [0,0,0,1,0,0|1,0,1]=3 16 B13R2.328 c1ccc2c(c1)c(=O)oc(=O)[nH]2 CUR-0102683 [0,0,0,1,0,0|2,0,1]=4 17 B13R2.12159 CC1(CC(=O)c2c1cccc2)C CUR-0003522 [0,0,0,1,0,0|1,0,0]=2 18 B11R1.36 CC(C)C(=O)c1ccncc1 CUR-0013855 [0,0,0,0,1,0|1,0,0]=2 19 B11R1.36 CC(C)C(c1ccncc1)O CUR-0045942 [0,0,0,0,1,0|1,0,2]=4 20 B13R1.45 CN(C)\C=C\C(=O)c1cccnc1 CUR-0097517 [0,0,0,0,0,1|3,0,0]=4 21 B13R1.348 CC(=O)CC(=O)Nc1ccccc1 CUR-0005397 [0,0,0,0,0,1|2,0,1]=4 22 B10R1.15 C#CC(=O)c1ccccc1 CUR-0097758 [2,0,0,0,0,0|0,0,2]=4 23 B10R1.15 CCC(=O)c1ccccc1 CUR-0024986 [2,0,0,0,0,0|0,0,0]=2 24 B10R1.15 CCC(c1ccccc1)Br CUR-0015038 [2,0,0,0,0,0|1,0,1]=4 25 B10R1.15 COC(=O)c1ccccc1 CUR-0016353 [2,0,0,0,0,0|0,0,0]=2 26 B10R1.15 COC(=O)c1ccccn1 CUR-0102091 [2,0,0,0,0,0|1,0,0]=3 27 B10R1.15 COC(=O)c1cnccn1 CUR-0029170 [2,0,0,0,0,0|2,0,0]=4 28 B10R1.15 c1ccc(cc1)C(=O)CBr CUR-0022224 [2,0,0,0,0,0|1,0,0]=3 29 B10R1.15 c1ccc(cc1)C(=O)CN CUR-0095634 [2,0,0,0,0,0|1,0,0]=3 30 B10R1.15 c1ccc(cc1)C(=O)NN CUR-0010769 [2,0,0,0,0,0|2,0,0]=4 31 B10R1.17 CCNCc1ccccc1 CUR-0102061 [2,0,0,0,0,0|1,0,1]=4 32 B10R1.17 c1ccc(cc1)COCCl CUR-0026033 [2,0,0,0,0,0|1,0,1]=4 33 B10R1.17 c1ccc(cc1)\C=C\CCl CUR-0102450 [2,0,0,0,0,0|2,0,0]=4 34 B12R1.16 CCOC(=O)c1ccc(cc1)Br CUR-0024563 [1,1,0,0,0,0|0,0,0]=2 35 B12R1.16 CCOC(=O)c1ccc(cc1)N CUR-0020415 [1,1,0,0,0,0|0,0,0]=2 36 B12R1.16 CCOC(=O)c1ccc(cc1)O CUR-0102786 [1,1,0,0,0,0|0,0,0]=2 37 B12R1.16 CCOC(=O)c1ccc(nn1)Cl CUR-0097059 [1,1,0,0,0,0|2,0,0]=4 38 B12R1.16 CCOC(=O)c1ccc(nn1)S CUR-0097087 [1,1,0,0,0,0|2,0,0]=4 39 B12R1.17 CCNC(=O)c1cc(ccn1)Cl CUR-0013595 [1,1,0,0,0,0|2,0,0]=4 40 B12R1.30 CCCCC(=O)c1ccccc1 CUR-0102662 [1,1,0,0,0,0|1,0,0]=3 41 B12R1.308 CCOC(=O)c1ccccc1N CUR-0102741 [1,1,0,0,0,0|0,0,0]=2 42 B12R1.308 CCOC(=O)c1ccccc1O CUR-0102788 [1,1,0,0,0,0|0,0,0]=2 43 B12R1.125 CC(C)CNc1ccccc1N CUR-0062360 [1,1,0,0,0,0|2,0,0]=4 44 B12R1.891 CC(C)(C)CNc1ccccc1 CUR-0100009 [1,1,0,0,0,0|2,0,0]=4 45 B12R1.20 CN(C)C(=O)c1ccc(cc1)N CUR-0105790 [0,1,0,0,1,0|1,0,0]=3 46 B12R1.20 CN(C)C(=O)c1ccc(nc1)Cl CUR-0014323 [0,1,0,0,1,0|2,0,0]=4 47 B12R1.20 Cc1ccc(cc1)C(=O)C(C)Br CUR-0036926 [0,1,0,0,1,0|1,0,0]=3 48 B12R1.124 CN(C)C(=O)c1ccccc1N CUR-0099669 [0,1,0,0,1,0|1,0,0]=3 49 B12R1.225 CN(C)C(=O)c1cc(ccn1)Cl CUR-0023026 [0,1,0,0,1,0|2,0,0]=4 50 B14R1.160 CC(C)COC(=O)c1ccccc1O CUR-0103345 [0,1,0,0,0,1|0,0,0]=2 51 B14R1.5966 CC(C)(C)OC(=O)c1ccnc(c1)N CUR-0137930 [0,2,0,0,0,0|1,0,0]=3 52 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 CUR-0102310 [1,0,0,1,0,0|2,0,0]=4 53 B12R2.1081 c1ccc2c(c1)CCCC2=O CUR-0102276 [1,0,0,1,0,0|1,0,0]=3 54 B12R2.2028 CC1CC(=O)c2c1cccc2 CUR-0052444 [1,0,0,1,0,0|1,0,0]=3 55 B12R2.2028 c1ccc2c(c1)C(=O)OC2=O CUR-0020882 [1,0,0,1,0,0|1,0,1]=4 56 B14R2.598 c1ccc(cc1)N2CC(CC2=O)N CUR-0100729 [0,0,0,1,0,1|2,0,0]=4 57 B14R2.642 CC(C)n1c2ccccc2nc1S CUR-0096043 [0,0,0,1,0,1|1,1,0]=4 58 B14R2.738 CC1CC(=O)Nc2ccccc2N1 CUR-0095514 [0,0,0,1,0,1|2,0,0]=4 59 B14R2.768 CC(C)Cc1[nH]c2ccccc2n1 CUR-0095832 [0,0,0,1,0,1|2,0,0]=4 60 B14R2.768 CC(C)Sc1[nH]c2ccccc2n1 CUR-0095761 [0,0,0,1,0,1|1,1,0]=4 61 B14R2.7724 Cn1c2ccccc2c(=O)oc1=O CUR-0096393 [0,1,0,1,0,0|1,0,1]=4 62 B14R2.933 c1cc(ncc1C(=O)NC2CC2)Cl CUR-0012649 [0,1,0,1,0,0|2,0,0]=4 63 B14R2.8052 CC1(c2ccnc(c2C(=O)O1)Cl)C CUR-0024955 [0,1,0,1,0,0|1,0,0]=3 64 B14R2.29496 CC1(CC(=O)c2ccccc2O1)C CUR-0020463 [0,1,0,1,0,0|1,0,0]=3 65 B14R2.29496 CC1=CC(Nc2c1cccc2)(C)C CUR-0002048 [0,1,0,1,0,0|2,0,0]=4 66 B10R1.11 CCOC(=O)c1c[nH]nc1 CUR-0102140 [1,0,0,0,1,0|2,0,0]=4 67 B10R1.11 CCOC(=O)c1ccco1 CUR-0102138 [1,0,0,0,1,0|1,0,0]=3 68 B10R1.11 CCOC(=O)c1cocn1 CUR-0015363 [1,0,0,0,1,0|2,0,0]=4 69 B12R1.32 CCOC(=O)Cc1ccccc1 CUR-0102728 [1,0,0,0,0,1|0,0,0]=2