0 B11R1.16 CCOC(=O)c1cccnc1 AB00748 [1,0,0,0,0,0|1,0,0]=2 1 B11R1.16 CCOC(=O)c1ccncn1 AB52728 [1,0,0,0,0,0|2,0,0]=3 2 B11R1.16 CCOC(=O)c1cncnn1 AB72449 [1,0,0,0,0,0|3,0,0]=4 3 B11R1.16 CCOC(=O)c1cnncn1 AB66560 [1,0,0,0,0,0|3,0,0]=4 4 B11R1.16 CCOC(=O)c1nccnn1 AB56211 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.16 CCOC(=O)c1ncncn1 AB66563 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.16 CNCC(=O)c1ccccc1 AB16229 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.16 c1ccc(cc1)C(=O)OCCl AB01791 [1,0,0,0,0,0|1,0,0]=2 8 B11R1.91 CC(=O)\C=C\c1ccccc1 CB10061 [1,0,0,0,0,0|2,0,1]=4 9 B13R2.328 c1ccc2c(c1)CC(=O)NC2=O AB05280 [0,0,0,1,0,0|2,0,1]=4 10 B13R2.12159 CC1(c2ccccc2C(=O)N1)C PB38777 [0,0,0,1,0,0|1,0,0]=2 11 B13R2.12159 CC1(c2ccccc2C(=O)O1)C AB04969 [0,0,0,1,0,0|0,0,0]=1 12 B13R2.12159 c1ccc2c(c1)C(=O)OI2(=O)O AB12727 [0,0,0,1,0,0|3,0,0]=4 13 B11R1.36 CN(C)C(=O)c1cccnc1 MB00495 [0,0,0,0,1,0|2,0,0]=3 14 B13R1.45 CN(C)\C=C\C(=O)c1ccncc1 AB03478 [0,0,0,0,0,1|3,0,0]=4 15 B10R1.15 CCC(=O)c1ccccn1 AB01373 [2,0,0,0,0,0|1,0,0]=3 16 B10R1.15 CCC(=O)c1cnccn1 PB23991 [2,0,0,0,0,0|2,0,0]=4 17 B10R1.15 COC(=O)c1cccnn1 PB28168 [2,0,0,0,0,0|2,0,0]=4 18 B10R1.15 COC(=O)c1ccncn1 PB15680 [2,0,0,0,0,0|2,0,0]=4 19 B10R1.15 COC(=O)c1ccnnc1 PB31452 [2,0,0,0,0,0|2,0,0]=4 20 B10R1.15 COC(=O)c1cncnc1 PB15822 [2,0,0,0,0,0|2,0,0]=4 21 B10R1.15 COC(=O)c1ncccn1 PB20045 [2,0,0,0,0,0|2,0,0]=4 22 B10R1.15 c1cc(cnc1)C(=O)CBr AB02174 [2,0,0,0,0,0|2,0,0]=4 23 B10R1.15 c1cc(cnc1)C(=O)CBr AB44461 [2,0,0,0,0,0|2,0,0]=4 24 B10R1.15 c1cc(cnc1)C(=O)CCl MB06839 [2,0,0,0,0,0|2,0,0]=4 25 B10R1.15 c1ccc(cc1)C(=O)C=O AB00817 [2,0,0,0,0,0|1,0,1]=4 26 B10R1.15 c1ccc(cc1)C(=O)C=O AB03966 [2,0,0,0,0,0|1,0,1]=4 27 B10R1.15 c1ccc(cc1)C(=O)NN AB00887 [2,0,0,0,0,0|2,0,0]=4 28 B10R1.15 c1ccnc(c1)C(=O)CBr AB23665 [2,0,0,0,0,0|2,0,0]=4 29 B10R1.15 c1cnccc1C(=O)CBr AB12154 [2,0,0,0,0,0|2,0,0]=4 30 B12R1.16 CCNC(=O)c1ccc(cc1)O AB63728 [1,1,0,0,0,0|1,0,0]=3 31 B12R1.16 CCOC(=O)c1ccc(cn1)Br MB01029 [1,1,0,0,0,0|1,0,0]=3 32 B12R1.16 CCOC(=O)c1ccc(nc1)C PB19876 [1,1,0,0,0,0|1,0,0]=3 33 B12R1.16 CCOC(=O)c1ccc(nc1)N AB21186 [1,1,0,0,0,0|1,0,0]=3 34 B12R1.16 CCOC(=O)c1cnc(nc1)C PB32795 [1,1,0,0,0,0|2,0,0]=4 35 B12R1.16 CCOC(=O)c1cnc(nc1)Cl AB53770 [1,1,0,0,0,0|2,0,0]=4 36 B12R1.16 CCOC(=O)c1cnc(nc1)N AB17890 [1,1,0,0,0,0|2,0,0]=4 37 B12R1.16 CCOS(=O)c1ccc(cc1)Cl AB45706 [1,1,0,0,0,0|1,0,0]=3 38 B12R1.17 CCOC(=O)c1cc(ccn1)Br AB53514 [1,1,0,0,0,0|1,0,0]=3 39 B12R1.17 CCOC(=O)c1cc(ccn1)Cl MB07478 [1,1,0,0,0,0|1,0,0]=3 40 B12R1.17 CCOC(=O)c1cc(ccn1)N PB20455 [1,1,0,0,0,0|1,0,0]=3 41 B12R1.17 CCOC(=O)c1cc(cnc1)Br AB01806 [1,1,0,0,0,0|1,0,0]=3 42 B12R1.17 CCOC(=O)c1cc(ncn1)Cl PB19299 [1,1,0,0,0,0|2,0,0]=4 43 B12R1.17 CCOC(=O)c1cc(ncn1)O AB63705 [1,1,0,0,0,0|2,0,0]=4 44 B12R1.17 CCOC(=O)c1cccc(n1)F AB64443 [1,1,0,0,0,0|1,0,0]=3 45 B12R1.17 CCOC(=O)c1ccnc(c1)N AB16201 [1,1,0,0,0,0|1,0,0]=3 46 B12R1.17 CCOC(=O)c1ccnc(n1)C AB62976 [1,1,0,0,0,0|2,0,0]=4 47 B12R1.17 CCOC(=O)c1ccnc(n1)Cl AB44774 [1,1,0,0,0,0|2,0,0]=4 48 B12R1.17 CCOC(=O)c1ccnc(n1)N AB76641 [1,1,0,0,0,0|2,0,0]=4 49 B12R1.17 CCOC(=O)c1ccnc(n1)O AB44770 [1,1,0,0,0,0|2,0,0]=4 50 B12R1.17 CCOC(=O)c1nccc(n1)C AB69279 [1,1,0,0,0,0|2,0,0]=4 51 B12R1.17 CCOC(=O)c1nccc(n1)Cl AB59517 [1,1,0,0,0,0|2,0,0]=4 52 B12R1.308 CCOC(=O)c1c(cccn1)Br AB68905 [1,1,0,0,0,0|1,0,0]=3 53 B12R1.308 CCOC(=O)c1c(cccn1)C AB64448 [1,1,0,0,0,0|1,0,0]=3 54 B12R1.308 CCOC(=O)c1c(cccn1)N AB06627 [1,1,0,0,0,0|1,0,0]=3 55 B12R1.308 CCOC(=O)c1c(ccnn1)C PB13973 [1,1,0,0,0,0|2,0,0]=4 56 B12R1.308 CCOC(=O)c1c(cncn1)Br AB71475 [1,1,0,0,0,0|2,0,0]=4 57 B12R1.308 CCOC(=O)c1c(cncn1)C AB71784 [1,1,0,0,0,0|2,0,0]=4 58 B12R1.308 CCOC(=O)c1c(cncn1)Cl AB63706 [1,1,0,0,0,0|2,0,0]=4 59 B12R1.308 CCOC(=O)c1c(cncn1)N AB71473 [1,1,0,0,0,0|2,0,0]=4 60 B12R1.308 CCOC(=O)c1c(nccn1)C AB53416 [1,1,0,0,0,0|2,0,0]=4 61 B12R1.308 CCOC(=O)c1c(nccn1)Cl AB32646 [1,1,0,0,0,0|2,0,0]=4 62 B12R1.308 CCOC(=O)c1c(nccn1)N AB30933 [1,1,0,0,0,0|2,0,0]=4 63 B12R1.308 CCOC(=O)c1cccnc1C AB00718 [1,1,0,0,0,0|1,0,0]=3 64 B12R1.308 CCOC(=O)c1cccnc1N PB26067 [1,1,0,0,0,0|1,0,0]=3 65 B12R1.308 CCOC(=O)c1cccnc1O AB53419 [1,1,0,0,0,0|1,0,0]=3 66 B12R1.308 CCOC(=O)c1ccncc1N AB15955 [1,1,0,0,0,0|1,0,0]=3 67 B12R1.308 CCOC(=O)c1ccncc1O PB32752 [1,1,0,0,0,0|1,0,0]=3 68 B12R1.308 CCOC(=O)c1ccnnc1C PB32968 [1,1,0,0,0,0|2,0,0]=4 69 B12R1.308 CCOC(=O)c1cnccc1C AB62589 [1,1,0,0,0,0|1,0,0]=3 70 B12R1.308 CCOC(=O)c1cnccc1Cl AB30313 [1,1,0,0,0,0|1,0,0]=3 71 B12R1.308 CCOC(=O)c1cnccc1O MB01033 [1,1,0,0,0,0|1,0,0]=3 72 B12R1.308 CCOC(=O)c1cncnc1Cl AB32643 [1,1,0,0,0,0|2,0,0]=4 73 B12R1.308 CCOC(=O)c1cncnc1O AB05293 [1,1,0,0,0,0|2,0,0]=4 74 B12R1.308 CCOC(=O)c1cnncc1C PB27094 [1,1,0,0,0,0|2,0,0]=4 75 B12R1.27 C[C@H](CN)NCc1ccccc1 AB72049 [1,1,0,0,0,0|1,0,1]=4 76 B12R1.891 CC(C)(CCc1ccccc1)N AB03652 [1,1,0,0,0,0|1,0,1]=4 77 B12R1.20 CN(C)C(=O)c1ccc(cc1)O MB01715 [0,1,0,0,1,0|1,0,0]=3 78 B12R1.20 CN(C)C(=O)c1ccc(cn1)O MB24451 [0,1,0,0,1,0|2,0,0]=4 79 B12R1.20 CN(C)C(=O)c1ccc(nc1)Br MB14271 [0,1,0,0,1,0|2,0,0]=4 80 B12R1.124 CN(C)C(=O)c1c(cccn1)O MB12021 [0,1,0,0,1,0|2,0,0]=4 81 B12R1.124 CN(C)C(=O)c1ccccc1O MB01180 [0,1,0,0,1,0|1,0,0]=3 82 B12R1.124 CN(C)C(=O)c1ccncc1O MB24543 [0,1,0,0,1,0|2,0,0]=4 83 B12R1.124 CN(C)C(=O)c1cnccc1O MB24550 [0,1,0,0,1,0|2,0,0]=4 84 B12R1.225 CC(C(=O)c1cccc(c1)Cl)Br AB15749 [0,1,0,0,1,0|1,0,0]=3 85 B12R1.225 CC(C(=O)c1cccc(c1)Cl)Cl AB18155 [0,1,0,0,1,0|1,0,0]=3 86 B12R1.225 CN(C)C(=O)c1cc(ccn1)Br MB11675 [0,1,0,0,1,0|2,0,0]=4 87 B12R1.225 CN(C)C(=O)c1cc(ccn1)N AB65385 [0,1,0,0,1,0|2,0,0]=4 88 B12R1.225 CN(C)C(=O)c1cc(ccn1)O MB24552 [0,1,0,0,1,0|2,0,0]=4 89 B12R1.225 CN(C)C(=O)c1cc(cnc1)Br MB02048 [0,1,0,0,1,0|2,0,0]=4 90 B12R1.225 CN(C)C(=O)c1cc(cnc1)O MB24547 [0,1,0,0,1,0|2,0,0]=4 91 B12R1.225 CN(C)C(=O)c1cccc(c1)O MB01711 [0,1,0,0,1,0|1,0,0]=3 92 B12R1.225 CN(C)C(=O)c1cccc(n1)Br MB14272 [0,1,0,0,1,0|2,0,0]=4 93 B12R1.225 CN(C)C(=O)c1ccnc(c1)Br MB02753 [0,1,0,0,1,0|2,0,0]=4 94 B12R1.265 CC(C)(C)OC(=O)n1ccnc1 AB01144 [0,1,0,0,1,0|2,0,0]=4 95 B14R1.160 CC(=O)ONC(=O)c1ccccc1O AB22745 [0,1,0,0,0,1|1,0,1]=4 96 B14R1.678 CC(=O)OCC(=O)c1ccc(cc1)F AB49706 [0,1,0,0,0,1|1,0,1]=4 97 B14R1.433 CC(C)(C)OC(=O)Nc1ccccc1 AB01955 [0,1,0,0,0,1|0,0,0]=2 98 B14R1.433 CC(C)(C)OC(=O)Nc1ccccn1 AB14184 [0,1,0,0,0,1|1,0,0]=3 99 B14R1.433 CC(C)(C)OC(=O)Nc1cccnc1 AB11052 [0,1,0,0,0,1|1,0,0]=3 100 B14R1.433 CC(C)(C)OC(=O)Nc1ccncc1 AB11054 [0,1,0,0,0,1|1,0,0]=3 101 B14R1.433 CC(C)(C)OC(=O)Nc1ccnnc1 PB21413 [0,1,0,0,0,1|2,0,0]=4 102 B14R1.549 CN(C)\C=C(/Cc1ccccc1)\C=O CB12063 [0,1,0,0,0,1|2,0,0]=4 103 B14R1.2 CC(C)NC(=O)c1ccc(cc1)C=O AB16510 [0,2,0,0,0,0|1,0,0]=3 104 B14R1.683 CC(C)(C)OC(=O)c1ccc(=O)oc1 MB02106 [0,2,0,0,0,0|1,0,0]=3 105 B14R1.683 CC(C)(C)OC(=O)c1ccc(cc1)Br AB03329 [0,2,0,0,0,0|0,0,0]=2 106 B14R1.694 CC(C)NS(=O)(=O)c1ccc(cc1)Br AB08380 [0,2,0,0,0,0|2,0,0]=4 107 B14R1.6048 CC(C)OC(=O)c1c(cc(cn1)Br)N PB22882 [0,2,0,0,0,0|1,0,0]=3 108 B14R1.4403 CC(C)NS(=O)(=O)c1cccc(c1)Br AB30834 [0,2,0,0,0,0|2,0,0]=4 109 B14R1.5966 CC(C)(C)OC(=O)c1cc(ccn1)Cl PB22403 [0,2,0,0,0,0|1,0,0]=3 110 B14R1.5966 CC(C)(C)OC(=O)c1cc(ccn1)N PB30075 [0,2,0,0,0,0|1,0,0]=3 111 B14R1.5966 CC(C)(C)OC(=O)c1cc(cnc1)Br AB31367 [0,2,0,0,0,0|1,0,0]=3 112 B14R1.5966 CC(C)(C)OC(=O)c1cccc(c1)Br AB25681 [0,2,0,0,0,0|0,0,0]=2 113 B14R1.5966 CC(C)(C)OC(=O)c1ccnc(c1)Br AB31342 [0,2,0,0,0,0|1,0,0]=3 114 B14R1.5966 CC(C)(C)OC(=O)c1ccnc(c1)Cl PB15740 [0,2,0,0,0,0|1,0,0]=3 115 B14R1.4451 CC(C)(C)OC(=O)c1ccccc1Br AB01484 [0,2,0,0,0,0|0,0,0]=2 116 B14R1.4451 CC(C)(C)OC(=O)c1cccnc1Br AB31411 [0,2,0,0,0,0|1,0,0]=3 117 B12R1.75 CC(C)Oc1c(cccn1)C=O AB30397 [0,0,1,1,0,0|2,0,0]=4 118 B12R2.2 c1ccc(cc1)C2CCCO2 PB14199 [1,0,0,1,0,0|1,0,1]=4 119 B12R2.1081 c1cc2c(nc1)C(=O)CCC2 AB16309 [1,0,0,1,0,0|2,0,0]=4 120 B12R2.1081 c1cc2c(nc1)C(=O)NCC2 AB71451 [1,0,0,1,0,0|2,0,0]=4 121 B12R2.1081 c1cc2c(nc1)CCCC2=O PB30737 [1,0,0,1,0,0|2,0,0]=4 122 B12R2.1081 c1cc2c(nc1)CCNC2=O AB07692 [1,0,0,1,0,0|2,0,0]=4 123 B12R2.1081 c1ccc2c(c1)C(=O)CCN2 AB06711 [1,0,0,1,0,0|2,0,0]=4 124 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 AB00814 [1,0,0,1,0,0|2,0,0]=4 125 B12R2.1081 c1ccc2c(c1)CCNC2=O AB07451 [1,0,0,1,0,0|1,0,0]=3 126 B12R2.1081 c1ccc2c(c1)CCOC2=O MB01461 [1,0,0,1,0,0|0,0,0]=2 127 B12R2.1081 c1ccc2c(c1)CNCC2=O AB11544 [1,0,0,1,0,0|2,0,0]=4 128 B12R2.1081 c1ccc2c(c1)COCC2=O PB14717 [1,0,0,1,0,0|2,0,0]=4 129 B12R2.1081 c1cncc2c1C(=O)CCC2 AB43737 [1,0,0,1,0,0|2,0,0]=4 130 B12R2.1081 c1cncc2c1C(=O)NCC2 AB66644 [1,0,0,1,0,0|2,0,0]=4 131 B12R2.1081 c1cncc2c1CCCC2=O MB04519 [1,0,0,1,0,0|2,0,0]=4 132 B12R2.1081 c1cncc2c1CCNC2=O AB66641 [1,0,0,1,0,0|2,0,0]=4 133 B12R2.2028 c1cc2c(nc1)C(=O)OC2O AB59881 [1,0,0,1,0,0|2,0,0]=4 134 B12R2.2028 c1ccc2c(c1)C(CC2=O)Br MB07683 [1,0,0,1,0,0|2,0,0]=4 135 B12R2.2028 c1ccc2c(c1)C(CC2=O)N AB50544 [1,0,0,1,0,0|2,0,0]=4 136 B12R2.2028 c1cncc2c1C(=O)OC2O AB59884 [1,0,0,1,0,0|2,0,0]=4 137 B12R2.2028 c1cncc2c1C(OC2=O)O AB59886 [1,0,0,1,0,0|2,0,0]=4 138 B12R2.24 CC1Cc2ccccc2CN1 AB30586 [1,0,0,1,0,0|1,0,1]=4 139 B12R2.24 C[C@H]1Cc2ccccc2CN1 AB39365 [1,0,0,1,0,0|1,0,1]=4 140 B12R2.2057 c1cc(cnc1)\C=N\C2CC2 MB69367 [1,0,0,1,0,0|2,0,0]=4 141 B12R2.2403 CC1(CNc2c1cccc2)C PB13437 [1,0,0,1,0,0|2,0,0]=4 142 B12R2.2403 CC1(c2ccccc2CN1)C PB19698 [1,0,0,1,0,0|1,0,1]=4 143 B12R2.18 CN1Cc2ccccc2C1=O MB00364 [0,0,0,1,1,0|1,0,0]=3 144 B12R2.18 Cn1c(=O)c2ccccc2[nH]1 MB14910 [0,0,0,1,1,0|2,0,0]=4 145 B14R2.29285 CC1(c2ccccc2C(=O)CO1)C AB70312 [0,0,0,1,0,1|0,0,0]=2 146 B14R2.29285 CC1(c2ccccc2C(CO1)N)C AB70309 [0,0,0,1,0,1|1,0,1]=4 147 B14R2.1019 c1ccc2c(c1)CC(NC2=O)CF AB52935 [0,1,0,1,0,0|1,0,0]=3 148 B14R2.933 c1cc(ncc1C(=O)NC2CC2)Br MB14282 [0,1,0,1,0,0|2,0,0]=4 149 B14R2.8732 CC1(c2cc(ccc2C(=O)N1)O)C PB37506 [0,1,0,1,0,0|1,0,0]=3 150 B14R2.4643 CC1(c2ccc(cc2C(=O)N1)Br)C PB38727 [0,1,0,1,0,0|1,0,0]=3 151 B14R2.4643 CC1(c2ccc(cc2C(=O)N1)N)C PB13962 [0,1,0,1,0,0|1,0,0]=3 152 B14R2.9036 c1c(cncc1Br)C(=O)NC2CC2 MB02562 [0,1,0,1,0,0|2,0,0]=4 153 B14R2.9036 c1cc(nc(c1)Br)C(=O)NC2CC2 MB14286 [0,1,0,1,0,0|2,0,0]=4 154 B14R2.9036 c1cnc(cc1Br)C(=O)NC2CC2 MB13449 [0,1,0,1,0,0|2,0,0]=4 155 B14R2.9036 c1cnc(cc1C(=O)NC2CC2)Br MB07979 [0,1,0,1,0,0|2,0,0]=4 156 B14R2.29496 CC1(CC(=O)c2ccccc2O1)C AB32438 [0,1,0,1,0,0|1,0,0]=3 157 B14R2.29496 CC1(NC(=O)c2ccccc2O1)C AB07062 [0,1,0,1,0,0|1,0,0]=3 158 B10R1.11 CCOC(=O)c1[nH]ccn1 AB14751 [1,0,0,0,1,0|2,0,0]=4 159 B10R1.11 CCOC(=O)c1ccon1 PB14547 [1,0,0,0,1,0|2,0,0]=4 160 B10R1.11 CCOC(=O)c1cnco1 AB19292 [1,0,0,0,1,0|2,0,0]=4 161 B10R1.11 CCOC(=O)c1cncs1 PB17345 [1,0,0,0,1,0|2,0,0]=4 162 B10R1.11 CCOC(=O)c1cnoc1 PB30887 [1,0,0,0,1,0|2,0,0]=4 163 B10R1.11 CCOC(=O)c1cocn1 PB21846 [1,0,0,0,1,0|2,0,0]=4 164 B10R1.11 CCOC(=O)c1cscn1 AB16049 [1,0,0,0,1,0|2,0,0]=4 165 B10R1.11 CCOC(=O)c1ncco1 AB19317 [1,0,0,0,1,0|2,0,0]=4 166 B10R1.11 CCOC(=O)c1nccs1 AB23232 [1,0,0,0,1,0|2,0,0]=4 167 B10R1.18 CC(C)Oc1ccccn1 AB63711 [1,0,0,0,1,0|1,0,0]=3 168 B10R1.18 C[C@@H](Cc1ccccc1)N AB03711 [1,0,0,0,1,0|1,0,1]=4 169 B10R1.18 C[C@H](Cc1ccccc1)N AB07478 [1,0,0,0,1,0|1,0,1]=4 170 B12R1.32 CCOC(=O)Cc1ccccn1 AB00728 [1,0,0,0,0,1|1,0,0]=3 171 B12R1.32 CCOC(=O)Cc1cnccn1 AB62539 [1,0,0,0,0,1|2,0,0]=4 172 B12R1.32 CCOC(=O)Cc1ncccn1 PB14776 [1,0,0,0,0,1|2,0,0]=4