0 B12R1.478 CN(C)C(C#N)c1ccccc1 MB00227 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.478 CN(C)C(C#N)c1cccnc1 MB08463 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.478 CN(C)C(C#N)c1ccncc1 MB08479 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.36 CN(C)C(=O)c1cccnc1 MB00495 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.36 c1ccc(cc1)C(C(F)F)N AB28541 [1,0,0,0,0,0|3,0,0]=4 5 B13R2.15 c1ccc(cc1)[C@@H]2CNC[C@H]2N AB60630 [0,0,0,1,0,0|2,0,1]=4 6 B13R2.15 c1ccc(cc1)[C@@H]2CNC[C@H]2O PB20756 [0,0,0,1,0,0|2,0,1]=4 7 B10R1.15 CCC(=O)c1ccccn1 AB01373 [2,0,0,0,0,0|1,0,1]=4 8 B10R1.15 C[C@@H](CN)c1ccccc1 AB04898 [2,0,0,0,0,0|1,0,1]=4 9 B10R1.15 C[C@H](CN)c1ccccc1 AB04902 [2,0,0,0,0,0|1,0,1]=4 10 B10R1.15 c1ccc(cc1)C(=O)C=O AB00817 [2,0,0,0,0,0|1,0,1]=4 11 B10R1.15 c1ccc(cc1)C(=O)C=O AB03966 [2,0,0,0,0,0|1,0,1]=4 12 B10R1.18 CC(C)Oc1ccccn1 AB63711 [2,0,0,0,0,0|2,0,0]=4 13 B10R1.18 CC(Cc1ccccn1)N AB12969 [2,0,0,0,0,0|2,0,0]=4 14 B10R1.18 CC(Cc1cccnc1)N AB23775 [2,0,0,0,0,0|2,0,0]=4 15 B10R1.18 CC(Cc1ccncc1)N AB28531 [2,0,0,0,0,0|2,0,0]=4 16 B10R1.18 C[C@@H](Cc1ccccc1)N AB03711 [2,0,0,0,0,0|1,0,0]=3 17 B10R1.18 C[C@H](Cc1ccccc1)N AB07478 [2,0,0,0,0,0|1,0,0]=3 18 B12R1.20 CN(C)C(=O)c1ccc(cc1)O MB01715 [1,1,0,0,0,0|1,0,1]=4 19 B12R1.20 C[C@H]([C@H](c1ccc(cc1)O)O)N MB00597 [1,1,0,0,0,0|1,0,1]=4 20 B12R1.124 CN(C)C(=O)c1ccccc1O MB01180 [1,1,0,0,0,0|1,0,1]=4 21 B12R1.225 CC(C(=O)c1cccc(c1)Cl)Br AB15749 [1,1,0,0,0,0|1,0,1]=4 22 B12R1.225 CC(C(=O)c1cccc(c1)Cl)Cl AB18155 [1,1,0,0,0,0|1,0,1]=4 23 B12R1.225 CN(C)C(=O)c1cccc(c1)O MB01711 [1,1,0,0,0,0|1,0,1]=4 24 B12R1.225 C[C@@H](c1cccc(c1)O)N(C)C MB03878 [1,1,0,0,0,0|1,0,1]=4 25 B14R1.6455 CC(=O)NC(c1ccccc1)C(=O)O AB02289 [0,1,0,0,0,1|1,0,1]=4 26 B12R2.1 CNC1CCc2c1cccc2 AB49601 [1,0,0,1,0,0|2,0,0]=4 27 B12R2.1 c1ccc2c(c1)CCC2C#N AB53724 [1,0,0,1,0,0|1,0,1]=4 28 B12R2.1 c1ccc2c(c1)CCC2CN AB28113 [1,0,0,1,0,0|1,0,1]=4 29 B12R2.2 c1ccc(cc1)C2CCCN2 AB09387 [1,0,0,1,0,0|2,0,0]=4 30 B12R2.2 c1ccc(cc1)C2CCCO2 PB14199 [1,0,0,1,0,0|2,0,0]=4 31 B12R2.2 c1ccc(cc1)C2CCNC2 AB09982 [1,0,0,1,0,0|1,0,1]=4 32 B12R2.2 c1ccc(cc1)[C@@H]2CCNC2 AB29529 [1,0,0,1,0,0|1,0,1]=4 33 B12R2.2 c1ccc(cc1)[C@H]2CCCN2 AB29151 [1,0,0,1,0,0|2,0,0]=4 34 B12R2.2 c1ccc(cc1)[C@H]2CCNC2 AB29532 [1,0,0,1,0,0|1,0,1]=4 35 B12R2.48 c1ccc(cc1)C2(CC2)C=O AB62779 [1,0,0,1,0,0|0,0,0]=2 36 B12R2.48 c1ccc(cc1)C2(CC2)CN AB23375 [1,0,0,1,0,0|1,0,1]=4 37 B12R2.18 CN1Cc2ccccc2C1=O MB00364 [1,0,0,1,0,0|1,0,1]=4 38 B12R2.18 c1ccc2c(c1)C[C@H]([C@H]2N)O PB33868 [1,0,0,1,0,0|2,0,0]=4 39 B12R2.235 c1ccc(cc1)[C@@]2(C[C@@H]2F)N MB69379 [1,0,0,1,0,0|2,0,0]=4 40 B12R2.235 c1ccc(cc1)[C@@]2(C[C@H]2N)F MB69387 [1,0,0,1,0,0|2,0,0]=4 41 B12R2.2075 c1ccc(cc1)C(C2CC2)N CB10839 [1,0,0,1,0,0|1,0,0]=3 42 B14R2.781 CC(C)C1CNc2ccccc2O1 AB72722 [0,0,0,1,0,1|1,0,1]=4 43 B14R2.24 CC1C(OCCN1)c2ccccc2 AB07481 [0,1,0,1,0,0|2,0,0]=4 44 B14R2.19306 Cc1c(c2ccccc2n1C)C=O AB07014 [0,1,0,1,0,0|0,0,2]=4 45 B12R1.43 C[C@@H](C(=O)Nc1ccccc1)O AB72181 [1,0,0,0,0,1|1,0,1]=4 46 B14R1.549 CN(C)\C=C(/Cc1ccccc1)\C=O CB12063 [0,0,0,0,0,2|1,0,1]=4