0 B12R1.1589 CCOC(=O)c1c(cnn1C)Br CSC012569109 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.1589 CCOC(=O)c1c(cnn1C)C CSC013208881 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.1589 CCOC(=O)c1c(cnn1C)Cl CSC011203545 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.1589 CCOC(=O)c1c(cnn1C)I CSC010781066 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.1589 CCOC(=O)c1c(noc1C)C CSC000172379 [0,0,0,0,0,0|1,0,0]=1 5 B11R1.199 CCNC(=O)c1ccnn1C CSC011638403 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.199 CCNC(=O)c1ccoc1C CSC000206257 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.199 CCOC(=O)c1c[nH]cc1C CSC000047047 [1,0,0,0,0,0|1,0,0]=2 8 B11R1.199 CCOC(=O)c1cc[nH]c1C CSC000074837 [1,0,0,0,0,0|1,0,0]=2 9 B11R1.199 CCOC(=O)c1cccn1C CSC000170828 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.199 CCOC(=O)c1ccnn1C CSC011581699 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.199 CCOC(=O)c1ccoc1C CSC011212792 [1,0,0,0,0,0|2,0,0]=3 12 B11R1.199 CCOC(=O)c1ccsc1C CSC012181354 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.199 CCOC(=O)c1cn[nH]c1C CSC011191310 [1,0,0,0,0,0|0,0,0]=1 14 B11R1.199 CCOC(=O)c1conc1C CSC000034737 [1,0,0,0,0,0|1,0,0]=2 15 B11R1.199 CCOC(=O)c1csnc1C CSC009882359 [1,0,0,0,0,0|1,0,0]=2 16 B11R1.199 CCOC(=O)c1ncoc1C CSC000698399 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.199 CCOC(=O)c1scnc1Br CSC012038550 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.875 COC(=O)c1c(cnn1C)Br CSC011203551 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.875 COC(=O)c1c(cnn1C)Cl CSC011203424 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.875 COC(=O)c1c(cnn1C)I CSC010000105 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.875 COC(=O)c1c(noc1C)C CSC000151588 [1,0,0,0,0,0|1,0,0]=2 22 B11R1.875 COC(=O)c1c(noc1N)C CSC000055394 [1,0,0,0,0,0|2,0,0]=3 23 B13R1.1524 CCNC(=O)c1c(onc1CC)C CSC000206253 [0,1,0,0,0,0|2,0,0]=3 24 B13R1.1524 CCOC(=O)c1c(cnn1CC)Cl CSC014140778 [0,1,0,0,0,0|3,0,0]=4 25 B13R1.1524 CCOC(=O)c1c(onc1CC)C CSC000211766 [0,1,0,0,0,0|1,0,0]=2 26 B13R1.2515 CCCNC(=O)c1c(noc1C)C CSC015338823 [0,1,0,0,0,0|2,0,0]=3 27 B13R1.4456 CCNC(=O)c1c(nn(c1C)C)C CSC011197114 [0,1,0,0,0,0|1,0,0]=2 28 B13R1.4456 CCOC(=O)c1c(nn(c1C)C)C CSC011213175 [0,1,0,0,0,0|0,0,0]=1 29 B13R1.6116 CCNS(=O)(=O)c1c(noc1C)C CSC000165242 [0,1,0,0,0,0|3,0,0]=4 30 B13R1.446 CCNC(=O)c1cc(ccc1C)C CSC000160160 [0,0,0,0,0,1|3,0,0]=4 31 B13R1.446 CCOC(=O)c1cc(ccc1C)Br CSC012257361 [0,0,0,0,0,1|3,0,0]=4 32 B13R1.446 CCOC(=O)c1cc(ccc1C)I CSC012360117 [0,0,0,0,0,1|3,0,0]=4 33 B13R1.446 CCOC(=O)c1cc(ccc1F)C CSC011692780 [0,0,0,0,0,1|3,0,0]=4 34 B13R1.446 CCOC(=O)c1cc(ccc1N)C CSC011246167 [0,0,0,0,0,1|3,0,0]=4 35 B13R1.446 CCOC(=O)c1cc(ccc1O)C CSC011212139 [0,0,0,0,0,1|3,0,0]=4 36 B13R1.2565 CCCC(=O)Nc1c(n[nH]c1C)C CSC000197964 [0,0,0,0,0,1|1,0,0]=2 37 B13R1.2565 CCOC(=O)Cc1c(noc1C)C CSC000246238 [0,0,0,0,0,1|1,0,0]=2 38 B13R1.4453 CCOC(=O)c1c(cccc1C)C CSC011218301 [0,0,0,0,0,1|2,0,0]=3 39 B13R1.4453 CCOC(=O)c1c(cccc1O)C CSC000034863 [0,0,0,0,0,1|3,0,0]=4 40 B10R1.11 CCOC(=O)c1ccoc1 CSC011213098 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.11 CCOC(=O)c1ccsc1 CSC011212746 [2,0,0,0,0,0|2,0,0]=4 42 B10R1.149 COC(=O)c1ccoc1C CSC000198963 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.149 COC(=O)c1ccsc1C CSC012003538 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.149 COC(=O)c1cn[nH]c1C CSC011998119 [2,0,0,0,0,0|0,0,0]=2 45 B10R1.149 COC(=O)c1cnnn1C CSC012184884 [2,0,0,0,0,0|1,0,1]=4 46 B10R1.149 COC(=O)c1cocc1C CSC009857685 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.149 COC(=O)c1csnc1C CSC000106640 [2,0,0,0,0,0|1,0,0]=3 48 B10R1.149 COC(=O)c1oncc1C CSC012003539 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.149 COC(=O)c1scnc1C CSC011302605 [2,0,0,0,0,0|2,0,0]=4 50 B10R1.192 Cc1noc(c1C(=O)N)C CSC000016683 [2,0,0,0,0,0|2,0,0]=4 51 B12R1.313 CCOC(=O)c1cc([nH]c1C)C CSC000017727 [1,1,0,0,0,0|1,0,0]=3 52 B12R1.313 CCOC(=O)c1cc(oc1C)C CSC000170599 [1,1,0,0,0,0|2,0,0]=4 53 B12R1.313 CCOC(=O)c1cn(nc1C)C CSC011990796 [1,1,0,0,0,0|0,0,0]=2 54 B12R1.313 CCOC(=O)c1cn(nc1I)C CSC010273708 [1,1,0,0,0,0|1,0,0]=3 55 B12R1.313 CCOC(=O)c1nn(cc1C)C CSC000103260 [1,1,0,0,0,0|2,0,0]=4 56 B12R1.313 CCOC(=O)c1oc(nc1C)C CSC000767006 [1,1,0,0,0,0|2,0,0]=4 57 B12R1.313 CCOC(=O)c1sc(nc1C)Cl CSC000067073 [1,1,0,0,0,0|2,0,0]=4 58 B12R1.316 CCOC(=O)c1ccnn1CC CSC012558227 [1,1,0,0,0,0|2,0,0]=4 59 B12R1.1579 CCOC(=O)c1cnn(c1C)C CSC011213189 [1,1,0,0,0,0|0,0,0]=2 60 B12R1.1579 CCOC(=O)c1cnn(c1Cl)C CSC000080032 [1,1,0,0,0,0|1,0,0]=3 61 B12R1.1579 CCOC(=O)c1cnn(c1N)C CSC000178723 [1,1,0,0,0,0|1,0,0]=3 62 B12R1.1579 CCOC(=O)c1csc(c1C)C CSC011203568 [1,1,0,0,0,0|2,0,0]=4 63 B12R1.1624 CCNCc1c(nn(c1C)C)C CSC000201296 [1,1,0,0,0,0|1,0,1]=4 64 B12R1.2217 CCC(=O)Nc1c(n[nH]c1C)C CSC000197966 [1,1,0,0,0,0|2,0,0]=4 65 B12R1.897 CN(C)C(=O)c1c(noc1C)C CSC000016634 [1,1,0,0,0,0|2,0,0]=4 66 B12R1.3443 CNC(=O)c1c(nn(c1C)C)C CSC011197104 [1,1,0,0,0,0|1,0,0]=3 67 B12R1.3443 COC(=O)c1c(nn(c1C)C)C CSC000241753 [1,1,0,0,0,0|0,0,0]=2 68 B14R1.9530 CC(C)CC(=O)Nc1c(n[nH]c1C)C CSC000197968 [0,1,0,0,0,1|1,0,0]=3 69 B14R1.9530 CC(C)NC(=O)Cc1c(noc1C)C CSC022741468 [0,1,0,0,0,1|2,0,0]=4 70 B14R1.18870 CCOC(=O)Cc1c(nn(c1C)C)C CSC000191008 [0,1,0,0,0,1|0,0,0]=2 71 B14R1.18811 CCOC(=O)c1c(cc([nH]c1=O)C)C CSC012184711 [0,1,0,0,0,1|2,0,0]=4 72 B14R1.18811 CCOC(=O)c1c(cc(cc1C)C)C CSC000171702 [0,1,0,0,0,1|2,0,0]=4 73 B14R1.2540 CCCNC(=O)c1c(onc1CC)C CSC000206312 [0,2,0,0,0,0|2,0,0]=4 74 B14R1.12618 CCc1noc(c1C(=O)NC(C)C)C CSC000206078 [0,2,0,0,0,0|2,0,0]=4 75 B14R1.12618 CNc1snc(c1C(=O)NC(C)C)C CSC015415724 [0,2,0,0,0,0|2,0,0]=4 76 B14R1.12618 CNc1snc(c1C(=O)OC(C)C)C CSC000241630 [0,2,0,0,0,0|1,0,0]=3 77 B14R1.3032 CCCCNC(=O)c1c(noc1C)C CSC031334110 [0,2,0,0,0,0|2,0,0]=4 78 B14R1.7086 CCC(C)NC(=O)c1c(noc1C)C CSC022741943 [0,2,0,0,0,0|2,0,0]=4 79 B14R1.8285 CCCNC(=O)c1c(nn(c1C)C)C CSC011197136 [0,2,0,0,0,0|1,0,0]=3 80 B14R1.8285 Cc1nn(c(c1C(=O)NCC=C)C)C CSC011197120 [0,2,0,0,0,0|1,0,1]=4 81 B14R1.9547 CC(C)CNC(=O)c1c(noc1C)C CSC022741942 [0,2,0,0,0,0|2,0,0]=4 82 B14R1.4386 CC(C)NC(=O)c1c(nn(c1C)C)C CSC011192095 [0,2,0,0,0,0|1,0,0]=3 83 B14R1.23765 CCNS(=O)(=O)c1c(nn(c1C)C)C CSC000222306 [0,2,0,0,0,0|2,0,0]=4 84 B12R1.31 CCOC(=O)CC1=NNC(=O)C1 CSC000052243 [0,0,1,1,0,0|1,0,1]=4 85 B12R1.308 CCOC(=O)c1cccnc1C CSC000750000 [0,0,1,1,0,0|1,0,1]=4 86 B12R1.308 CCOC(=O)c1nccnc1C CSC000094559 [0,0,1,1,0,0|2,0,0]=4 87 B14R2.13599 Cc1noc(c1C(=O)N2CCC2)C CSC016137150 [0,1,0,1,0,0|2,0,0]=4 88 B14R2.21343 Cc1noc(c1C(=O)NC2CC2)C CSC015315347 [0,1,0,1,0,0|2,0,0]=4 89 B12R1.17 CCOC(=O)c1cccc(c1)C CSC000170498 [1,0,0,0,0,1|2,0,0]=4 90 B12R1.17 CCOC(=O)c1ccnc(c1)C CSC011935281 [1,0,0,0,0,1|1,0,0]=3 91 B12R1.17 CCOC(=O)c1cncc(c1)Br CSC000170250 [1,0,0,0,0,1|2,0,0]=4 92 B12R1.17 CCOC(=O)c1cncc(c1)F CSC012017147 [1,0,0,0,0,1|2,0,0]=4 93 B12R1.17 CCOC(=O)c1cncc(c1)O CSC000185702 [1,0,0,0,0,1|2,0,0]=4 94 B12R1.318 CCOC(=O)Cn1ccnc1C CSC011246363 [1,0,0,0,0,1|2,0,0]=4 95 B12R1.354 COC(=O)c1cc(ccc1C)C CSC000148939 [1,0,0,0,0,1|2,0,0]=4 96 B14R1.950 CCOC(=O)Cc1cc(ccc1C)C CSC011694957 [0,0,0,0,0,2|2,0,0]=4 97 B14R1.18023 CCOC(=O)CCc1c(noc1C)C CSC011212647 [0,0,0,0,0,2|1,0,0]=3