0 B12R1.27 CC(CO)NCC1=CC=CC=C1 CS11754 [0,0,0,0,0,0|1,0,2]=3 1 B12R1.27 CC(CO)OCC1=CC=CC=C1 MC106974 [0,0,0,0,0,0|1,0,2]=3 2 B12R1.27 COC(=O)CCC1=CC=CC=C1 MC433965 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.28 BrCCCOC1=CC=CC=C1 CS15031 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.28 BrCCOCC1=CC=CC=C1 CS10998 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.28 C=CCOCC1=CC=CC=C1 MC425090 [1,0,0,0,0,0|2,0,0]=3 6 B11R1.28 CNCCCC1=CC=CC=C1 MC425598 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.28 CNCCCC1=NC=CC=C1 MC430496 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.28 N#CCNCC1=CC=CC=C1 MC442440 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.28 NCCOCC1=CC=CC=C1 CS20892 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.28 O=CCOCC1=CC=CC=C1 MC429084 [1,0,0,0,0,0|1,0,0]=2 11 B11R1.28 OCCCCC1=CC=CC=C1 CS11170 [1,0,0,0,0,0|0,0,2]=3 12 B11R1.28 OCCCCC1=CC=NC=C1 CS13477 [1,0,0,0,0,0|1,0,2]=4 13 B11R1.28 OCCOCC1=CC=CC=C1 MC20071 [1,0,0,0,0,0|1,0,2]=4 14 B11R1.91 CC(=O)COC1=CC=CC=C1 MC433248 [1,0,0,0,0,0|1,0,1]=3 15 B11R1.91 CC(=O)OCC1=CC=CN=C1 MC33425 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.91 CN(C)CCC1=CC=CC=C1 MC446671 [1,0,0,0,0,0|1,0,1]=3 17 B11R1.91 NC(=O)OCC1=CC=CC=C1 MC428066 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 MC42251 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.91 O=C(O)CNc1ccccc1 MC439073 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 CS20444 [1,0,0,0,0,0|2,0,0]=3 21 B13R1.14 OC(CCl)CCC1=CC=C(Cl)C=C1 MC114909 [0,1,0,0,0,0|2,0,1]=4 22 B13R1.351 CC(OCC1=CC=CC=C1)C(=O)O CS17364 [0,1,0,0,0,0|1,0,0]=2 23 B13R1.351 NC(CCC1=CC=CC=C1)B(O)O MC442655 [0,1,0,0,0,0|2,0,1]=4 24 B13R1.351 NC(CCC1=CC=CC=C1)B(O)O MC442656 [0,1,0,0,0,0|2,0,1]=4 25 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O CS11152 [0,1,0,0,0,0|1,0,0]=2 26 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O MC437761 [0,1,0,0,0,0|1,0,0]=2 27 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O MC437762 [0,1,0,0,0,0|1,0,0]=2 28 B13R1.351 NC(CSc1ccccc1)C(=O)O MC436913 [0,1,0,0,0,0|2,0,0]=3 29 B13R1.351 NC(C[Se]C1=CC=CC=C1)C(=O)O MC435422 [0,1,0,0,0,0|2,0,0]=3 30 B13R1.351 O=C(O)C(O)CCC1=CC=CC=C1 CS11117 [0,1,0,0,0,0|1,0,0]=2 31 B13R1.351 O=C(O)C(O)CCC1=CC=CC=C1 CS11118 [0,1,0,0,0,0|1,0,0]=2 32 B13R2.32 CN1C=CC2=CC=CC=C2C1=O CS16983 [0,0,0,1,0,0|1,0,2]=4 33 B13R2.32 NC1CCC2=C(C=CN=C2)C1=O MC107574 [0,0,0,1,0,0|2,0,0]=3 34 B13R2.57 NCC1CC2=CC=CC=C2CN1 MC431478 [0,0,0,1,0,0|2,0,1]=4 35 B13R2.57 NCC1CCC2=CC=CC=C2O1 MC111186 [0,0,0,1,0,0|2,0,1]=4 36 B13R2.57 OCC1CC2=CC=CC=C2CN1 CS10025 [0,0,0,1,0,0|1,0,2]=4 37 B13R2.2383 C1=CC=C(COC2CNC2)C=C1 MC107180 [0,0,0,1,0,0|2,0,1]=4 38 B13R2.2383 C1=CC=C(OCC2CNC2)C=C1 MC112095 [0,0,0,1,0,0|2,0,1]=4 39 B11R1.40 C#CC(O)CC1=CC=CC=C1 MC425691 [0,0,0,0,1,0|2,0,1]=4 40 B11R1.40 CC(C#N)NC1=CC=CC=C1 MC428132 [0,0,0,0,1,0|2,0,1]=4 41 B11R1.40 NC(CO)CC1=CC=CC=C1 CS21216 [0,0,0,0,1,0|1,0,2]=4 42 B11R1.40 NC(CO)CC1=CC=CC=C1 MC425862 [0,0,0,0,1,0|1,0,2]=4 43 B13R1.718 CC(CN)COCC1=CC=CC=C1 MC103315 [0,0,0,0,0,1|1,0,1]=3 44 B13R1.718 NC(CO)COCC1=CC=CC=C1 CS13312 [0,0,0,0,0,1|1,0,2]=4 45 B13R1.718 OCC(O)COCC1=CC=CC=C1 CS20085 [0,0,0,0,0,1|1,0,2]=4 46 B13R1.718 OCC(O)COCC1=CC=CC=C1 MC436292 [0,0,0,0,0,1|1,0,2]=4 47 B13R1.718 OCC(O)COCC1=CC=CC=C1 MC436293 [0,0,0,0,0,1|1,0,2]=4 48 B10R1.17 BrCCOC1=CC=CC=C1 MC20150 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.17 Br[Zn]CCc1ccccc1 MC121341 [2,0,0,0,0,0|2,0,0]=4 50 B10R1.17 CNCCC1=CC=CC=C1 MC446670 [2,0,0,0,0,0|1,0,0]=3 51 B10R1.17 ClCCOC1=CC=CC=C1 MC33174 [2,0,0,0,0,0|2,0,0]=4 52 B10R1.17 NCCCC1=CC=NC=C1 MC425564 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.17 NCCOC1=CC=CC=C1 CS20484 [2,0,0,0,0,0|2,0,0]=4 54 B10R1.17 O=CC#CC1=CC=CC=C1 CS18196 [2,0,0,0,0,0|0,0,2]=4 55 B10R1.17 OCCCC1=CC=NC=C1 CS22019 [2,0,0,0,0,0|1,0,1]=4 56 B10R1.17 OCCOC1=CC=CC=C1 MC41398 [2,0,0,0,0,0|1,0,1]=4 57 B12R1.8 BrCCCOCC1=CC=CC=C1 CS10023 [1,1,0,0,0,0|1,0,1]=4 58 B12R1.8 C#CCCNCC1=CC=CC=C1 MC431217 [1,1,0,0,0,0|1,0,1]=4 59 B12R1.8 CNCCNCC1=CC=CC=C1 MC107809 [1,1,0,0,0,0|2,0,0]=4 60 B12R1.8 N#CCSCCC1=CC=CC=C1 MC107687 [1,1,0,0,0,0|1,0,1]=4 61 B12R1.8 NCCCNCC1=CC=CC=C1 CS11742 [1,1,0,0,0,0|1,0,1]=4 62 B12R1.8 OCCCCCC1=CC=CC=C1 MC443206 [1,1,0,0,0,0|0,0,2]=4 63 B12R1.252 CC(=O)OCCC1=CC=CC=C1 MC40009 [1,1,0,0,0,0|1,0,0]=3 64 B12R1.252 NC(=S)COCC1=CC=CC=C1 MC430689 [1,1,0,0,0,0|1,1,0]=4 65 B12R1.252 O=C(O)CCCC1=NC=CC=C1 CS12802 [1,1,0,0,0,0|1,0,0]=3 66 B12R1.252 O=C(O)CCOC1=CC=CC=C1 MC40204 [1,1,0,0,0,0|1,0,0]=3 67 B12R1.252 O=C(O)CNCC1=CC=CC=C1 CS21182 [1,1,0,0,0,0|1,0,0]=3 68 B12R1.252 O=C(O)CNCC1=NC=CC=C1 MC105962 [1,1,0,0,0,0|2,0,0]=4 69 B12R1.252 O=C(O)COCC1=CC=CC=C1 CS14115 [1,1,0,0,0,0|1,0,0]=3 70 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 CS14964 [1,1,0,0,0,0|0,0,1]=3 71 B12R1.21 CC(C)CNC1=CC=C(Br)C=C1 MC106746 [1,1,0,0,0,0|1,0,1]=4 72 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 CS21832 [1,1,0,0,0,0|1,0,1]=4 73 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 CS21674 [1,1,0,0,0,0|1,0,1]=4 74 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 CS19854 [1,1,0,0,0,0|1,0,1]=4 75 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 CS21107 [1,1,0,0,0,0|1,0,1]=4 76 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438079 [1,1,0,0,0,0|1,0,1]=4 77 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438080 [1,1,0,0,0,0|1,0,1]=4 78 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438081 [1,1,0,0,0,0|1,0,1]=4 79 B12R1.43 NC(=O)C(N)Cc1ccccc1 MC438082 [1,1,0,0,0,0|1,0,1]=4 80 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS15443 [1,1,0,0,0,0|1,0,1]=4 81 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS18748 [1,1,0,0,0,0|1,0,1]=4 82 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O CS21178 [1,1,0,0,0,0|1,0,1]=4 83 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 CS15800 [1,1,0,0,0,0|1,0,1]=4 84 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 CS21095 [1,1,0,0,0,0|1,0,1]=4 85 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 MC438099 [1,1,0,0,0,0|1,0,1]=4 86 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 CS20784 [1,1,0,0,0,0|0,0,2]=4 87 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MC42229 [1,1,0,0,0,0|1,0,1]=4 88 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 MC428246 [1,1,0,0,0,0|1,0,1]=4 89 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 CS22312 [1,1,0,0,0,0|1,0,1]=4 90 B12R1.125 O=C(O)CCC1=C(Br)C=CC=C1 CS21656 [1,1,0,0,0,0|1,0,1]=4 91 B12R1.226 CC(C)COC1=CC=CC(O)=C1 MC112276 [1,1,0,0,0,0|1,0,1]=4 92 B12R1.226 O=C(O)CCC1=CC(Br)=CC=C1 CS21658 [1,1,0,0,0,0|1,0,1]=4 93 B12R1.226 O=C(O)CCC1=CC(Cl)=CC=C1 CS13948 [1,1,0,0,0,0|1,0,1]=4 94 B12R1.226 O=C(O)CCc1cccc(F)c1 MC40203 [1,1,0,0,0,0|1,0,1]=4 95 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 CS21739 [1,1,0,0,0,0|2,0,0]=4 96 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 MC34003 [0,1,0,0,1,0|2,0,0]=4 97 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 MC34004 [0,1,0,0,1,0|2,0,0]=4 98 B14R1.6449 CC(=O)N(C)CCCC1=CC=CC=C1 MC425591 [0,1,0,0,0,1|1,0,0]=3 99 B14R1.6449 NC(CCCC1=CC=CC=C1)C(=O)O CS11537 [0,1,0,0,0,1|1,0,0]=3 100 B14R1.6449 NC(COCC1=CC=CC=C1)C(=O)O CS14501 [0,1,0,0,0,1|1,0,0]=3 101 B14R1.6449 NC(COCC1=CC=CC=C1)C(=O)O CS18577 [0,1,0,0,0,1|1,0,0]=3 102 B14R1.6449 NC(CSCc1ccccc1)C(=O)O MC436898 [0,1,0,0,0,1|1,0,0]=3 103 B14R1.6449 NC(CSCc1ccccc1)C(=O)O MC436899 [0,1,0,0,0,1|1,0,0]=3 104 B14R1.415 CC(NC(=O)C1=CC=CC=C1)C(=O)O MC428110 [0,2,0,0,0,0|1,0,1]=4 105 B14R1.415 CC(NC(=O)c1ccccc1)C(=O)O MC436792 [0,2,0,0,0,0|1,0,1]=4 106 B14R1.415 CC(NC(=O)c1ccccc1)C(=O)O MC436793 [0,2,0,0,0,0|1,0,1]=4 107 B14R1.415 NC(CC(=O)C1=CC=CC=C1)C(=O)O CS17941 [0,2,0,0,0,0|1,0,1]=4 108 B14R1.679 NC(CCc1ccc(O)cc1)C(=O)O MC439117 [0,2,0,0,0,0|1,0,0]=3 109 B14R1.425 NC(CC1=CC=CC=C1)C(O)C(=O)O CS19318 [0,2,0,0,0,0|1,0,0]=3 110 B14R1.425 NC(CC1=CC=CC=C1)C(O)C(=O)O MC100350 [0,2,0,0,0,0|1,0,0]=3 111 B14R1.161 NC(CCC1=C(O)C=CC=C1)C(=O)O MC443558 [0,2,0,0,0,0|1,0,0]=3 112 B14R1.4194 O=C(O)C(CO)NCc1ccccc1 MC436817 [0,2,0,0,0,0|1,0,0]=3 113 B12R2.1 CNC1CCC2=CC=CC=C21 MC431440 [1,0,0,1,0,0|2,0,0]=4 114 B12R2.1 N#CC1CCC2=CC=CC=C21 CS13197 [1,0,0,1,0,0|1,0,1]=4 115 B12R2.2 C1=CC=C(C2CCCN2)C=C1 CS11140 [1,0,0,1,0,0|1,0,1]=4 116 B12R2.2 C1=CC=C(C2CCCN2)C=C1 CS17953 [1,0,0,1,0,0|1,0,1]=4 117 B12R2.2 C1=CC=C(C2CCCN2)C=C1 MC105777 [1,0,0,1,0,0|1,0,1]=4 118 B12R2.2 C1=CC=C(C2CCNC2)C=C1 MC106676 [1,0,0,1,0,0|2,0,0]=4 119 B12R2.23 O=C1CCC1C2=CC=CC=C2 MC104226 [1,0,0,1,0,0|0,0,0]=2 120 B12R2.41 C1=CC2=C(C=C1)CNCCC2 CS12567 [1,0,0,1,0,0|2,0,0]=4 121 B12R2.41 C1=CC2=C(C=C1)NCCCC2 CS18041 [1,0,0,1,0,0|1,0,1]=4 122 B12R2.1081 NC1CCCC2=CC=CC=C21 CS13980 [1,0,0,1,0,0|1,0,1]=4 123 B12R2.1081 O=C1CCCC2=C1C=CC=N2 CS18351 [1,0,0,1,0,0|1,0,0]=3 124 B12R2.1081 O=C1CCCC2=C1C=CN=C2 CS16479 [1,0,0,1,0,0|1,0,0]=3 125 B12R2.1081 O=C1CCCC2=C1C=NC=C2 CS18873 [1,0,0,1,0,0|1,0,0]=3 126 B12R2.1081 O=C1CCCC2=C1N=CC=C2 CS15049 [1,0,0,1,0,0|1,0,0]=3 127 B12R2.1081 O=C1CCCC2=CC=CC=C12 CS14809 [1,0,0,1,0,0|0,0,0]=2 128 B12R2.1081 O=C1CCNC2=CC=CC=C12 CS15321 [1,0,0,1,0,0|1,0,0]=3 129 B12R2.1081 O=C1CCNC2=CC=CC=C12 MC441207 [1,0,0,1,0,0|1,0,0]=3 130 B12R2.1081 O=C1CCOC2=CC=CC=C12 CS22800 [1,0,0,1,0,0|1,0,0]=3 131 B12R2.1081 O=C1COCC2=C1C=CC=C2 MC41773 [1,0,0,1,0,0|1,0,0]=3 132 B12R2.1081 O=C1NCCC2=CC=CC=C12 CS17872 [1,0,0,1,0,0|1,0,0]=3 133 B12R2.1081 O=C1NCCC2=CC=NC=C12 MC104301 [1,0,0,1,0,0|2,0,0]=4 134 B12R2.1081 O=C1OCCC2=CC=CC=C12 CS12987 [1,0,0,1,0,0|1,0,0]=3 135 B12R2.22 NC1CC(C2=CC=CC=C2)C1 MC103854 [1,0,0,1,0,0|1,0,0]=3 136 B12R2.22 NC1CC(C2=CC=CC=C2)C1 MC103855 [1,0,0,1,0,0|1,0,0]=3 137 B12R2.22 NC1CC(C2=CC=CC=C2)C1 MC105059 [1,0,0,1,0,0|1,0,0]=3 138 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 MC105058 [1,0,0,1,0,0|0,0,1]=3 139 B12R2.24 CC1CNC2=CC=CC=C2C1 MC33343 [1,0,0,1,0,0|1,0,1]=4 140 B12R2.24 CN1CCC2=CC=CC=C2C1 CS16157 [1,0,0,1,0,0|1,0,1]=4 141 B12R2.24 NC1CCC2=CC=CC=C2C1 CS18799 [1,0,0,1,0,0|1,0,0]=3 142 B12R2.24 NC1CCC2=CC=CC=C2C1 MC106682 [1,0,0,1,0,0|1,0,0]=3 143 B12R2.24 NC1CCC2=CC=CC=C2C1 MC106683 [1,0,0,1,0,0|1,0,0]=3 144 B12R2.24 NN1CCC2=CC=CC=C2C1 MC442441 [1,0,0,1,0,0|2,0,0]=4 145 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 MC440135 [1,0,0,1,0,0|0,0,1]=3 146 B12R2.24 O=C1CCC2=CC=CC=C2N1 CS11038 [1,0,0,1,0,0|1,0,1]=4 147 B12R2.24 O=C1CCc2ccccc2O1 MC41795 [1,0,0,1,0,0|1,0,1]=4 148 B12R2.24 O=C1CSC2=CC=CC=C2C1 MC107174 [1,0,0,1,0,0|1,0,1]=4 149 B12R2.2403 CC1(C)NCC2=CC=CC=C21 MC101956 [1,0,0,1,0,0|1,0,1]=4 150 B12R2.18 CC1CC2=CC=CC=C2C1=O MC446688 [0,0,0,1,1,0|0,0,0]=2 151 B12R2.18 CN1NC2=CC=CC=C2C1=O MC442274 [0,0,0,1,1,0|2,0,0]=4 152 B14R2.90 N#CC1CN(CC2=CC=CC=C2)C1 MC107025 [0,0,0,1,0,1|1,0,1]=4 153 B14R2.3019 C1=CC=C(COCC2COC2)C=C1 MC425341 [0,0,0,1,0,1|0,0,2]=4 154 B14R2.260 CC1CN(C2=CC=CC=C2)NC1=O CS10019 [0,1,0,1,0,0|1,0,0]=3 155 B14R2.436 O=C1CC(OCC2=CC=CC=C2)C1 CS12839 [0,1,0,1,0,0|1,0,0]=3 156 B14R2.598 O=C1CC(C2=CC=CC=C2)C(=O)O1 MC440514 [0,1,0,1,0,0|1,0,1]=4 157 B14R2.741 O=C1NC2=C(C=CC=C2)CCC1Br CS10004 [0,1,0,1,0,0|1,0,0]=3 158 B14R2.781 O=C(O)C1CC2=CC=CC=C2CN1 CS10016 [0,1,0,1,0,0|1,0,0]=3 159 B14R2.781 O=C(O)C1CC2=CC=CC=C2CN1 CS11441 [0,1,0,1,0,0|1,0,0]=3 160 B14R2.781 O=C(O)C1CC2=CC=CC=C2CN1 MC438185 [0,1,0,1,0,0|1,0,0]=3 161 B14R2.781 O=C(O)C1CC2=CC=CC=C2CN1 MC438186 [0,1,0,1,0,0|1,0,0]=3 162 B14R2.781 O=C(O)C1CNC2=CC=CC=C2C1 MC106685 [0,1,0,1,0,0|1,0,0]=3 163 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)O1 CS14213 [0,1,0,1,0,0|2,0,0]=4 164 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)O1 CS15696 [0,1,0,1,0,0|2,0,0]=4 165 B14R2.781 O=C(O)C1COC2=C(C=CC=C2)O1 CS15697 [0,1,0,1,0,0|2,0,0]=4 166 B10R1.18 CC(=O)CC1=CC=CN=C1 MC102696 [1,0,0,0,1,0|1,0,1]=4 167 B10R1.18 CC(=O)CC1=CC=NC=C1 CS20988 [1,0,0,0,1,0|1,0,1]=4 168 B10R1.18 CC(=O)CC1=NC=CC=C1 CS20802 [1,0,0,0,1,0|1,0,1]=4 169 B10R1.18 CC(=O)NC1=CC=CC=C1 MC34102 [1,0,0,0,1,0|1,0,1]=4 170 B10R1.18 CC(Br)CC1=CC=CC=C1 MC41813 [1,0,0,0,1,0|1,0,0]=3 171 B10R1.18 CC(C)NC1=CC=CC=C1 CS11787 [1,0,0,0,1,0|1,0,1]=4 172 B10R1.18 CC(C)OC1=CC=CC=C1 MC41360 [1,0,0,0,1,0|1,0,1]=4 173 B10R1.18 O=C([O-])CC1=CC=CC=C1 MC34448 [1,0,0,0,1,0|1,0,1]=4 174 B10R1.15 C=CC(N)C1=CC=CC=C1 MC102512 [0,0,0,0,2,0|2,0,0]=4 175 B10R1.15 CC(CN)C1=CC=CC=C1 CS10909 [0,0,0,0,2,0|1,0,1]=4 176 B10R1.15 CC(CN)c1ccccc1 MC110750 [0,0,0,0,2,0|1,0,1]=4 177 B10R1.15 CC(NO)c1ccccc1 MC103844 [0,0,0,0,2,0|1,0,1]=4 178 B10R1.15 CC(NO)c1ccccc1 MC103845 [0,0,0,0,2,0|1,0,1]=4 179 B10R1.15 CCC(C)C1=CC=CC=C1 CS11947 [0,0,0,0,2,0|1,0,1]=4 180 B10R1.15 CCC(C)C1=CC=CC=C1 MC433489 [0,0,0,0,2,0|1,0,1]=4 181 B10R1.15 CN(C=O)C1=CC=CC=C1 CS11793 [0,0,0,0,2,0|1,0,0]=3