0 B12R1.107 CC(C)OC(=O)c1ccccc1 CSC000170135 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.107 CC(NC(=O)C)c1ccccc1 CSC000158019 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.107 CC(OC(=O)C)c1ccccc1 CSC000000578 [0,0,0,0,0,0|0,0,0]=0 3 B12R1.107 CN(CC(=O)O)c1ccccn1 CSC015360306 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.107 CN(NC(=O)C)c1ccccc1 CSC000017130 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.107 C[C@@H](NC(=O)C)c1ccccc1 CSC011908465 [0,0,0,0,0,0|1,0,0]=1 6 B12R1.107 C[C@H](NC(=O)C)c1ccccc1 CSC011908453 [0,0,0,0,0,0|1,0,0]=1 7 B12R1.107 NC(=O)CS(=O)c1ccccc1 CSC000064346 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.16 CCNC(C)c1ccccc1 CSC000187283 [1,0,0,0,0,0|1,0,1]=3 9 B11R1.16 CN(CC=C)c1ccccc1 CSC000018674 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.91 CC(=C)COc1ccccc1 CSC000171512 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.91 CC(=C)CSc1ccccc1 CSC000006268 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.91 CC(=O)NCc1cccnc1 CSC000154915 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.91 CC(=O)NCc1ccncc1 CSC000154903 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.91 CC(=O)NNc1ccccc1 CSC000153448 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.91 CC(=O)OCc1ccccc1 CSC000000625 [1,0,0,0,0,0|0,0,0]=1 16 B11R1.91 CC(C)SCc1ccccc1 CSC000006445 [1,0,0,0,0,0|1,1,1]=4 17 B11R1.91 NC(=O)C#Cc1ccccc1 CSC000041776 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.91 NC(=O)COc1ccccc1 CSC000150575 [1,0,0,0,0,0|3,0,0]=4 19 B13R1.11 CC(NC(=O)CN)c1ccccc1 CSC000168438 [0,1,0,0,0,0|1,0,0]=2 20 B13R1.11 CC(NC(=O)CN)c1ccccn1 CSC011308586 [0,1,0,0,0,0|2,0,0]=3 21 B13R1.11 CCC(=O)NC(C)c1ccccc1 CSC000158022 [0,1,0,0,0,0|1,0,0]=2 22 B13R1.11 CCC(=O)NN(C)c1ccccc1 CSC015470315 [0,1,0,0,0,0|2,0,0]=3 23 B13R1.11 CCC(=O)N[C@H](C)c1ccccc1 CSC011908461 [0,1,0,0,0,0|1,0,0]=2 24 B13R1.11 CCC(=O)OC(C)c1ccccc1 CSC000000838 [0,1,0,0,0,0|0,0,0]=1 25 B13R1.11 CNC(=O)CC(C)c1ccccc1 CSC000002954 [0,1,0,0,0,0|1,0,0]=2 26 B13R1.11 COC(=O)CC(C)c1ccccc1 CSC000000072 [0,1,0,0,0,0|1,0,0]=2 27 B13R1.11 COC(=O)NC(C)c1ccccc1 CSC000235971 [0,1,0,0,0,0|1,0,0]=2 28 B13R1.132 CC(NC(=O)C)c1ccc(cc1)Br CSC000153805 [0,1,0,0,0,0|1,0,0]=2 29 B13R1.132 CC(NC(=O)C)c1ccc(cc1)C CSC011237556 [0,1,0,0,0,0|1,0,0]=2 30 B13R1.132 CC(NC(=O)C)c1ccc(cc1)Cl CSC000153794 [0,1,0,0,0,0|1,0,0]=2 31 B13R1.132 CC(NC(=O)N)c1ccc(cc1)Br CSC000238882 [0,1,0,0,0,0|2,0,0]=3 32 B13R1.201 CN(CC(=O)O)c1ccccc1F CSC011585902 [0,1,0,0,0,0|3,0,0]=4 33 B13R1.352 CC(NS(=O)(=O)C)c1cccnc1 CSC000222640 [0,1,0,0,0,0|3,0,0]=4 34 B13R1.352 C[C@@H](NS(=O)(=O)C)c1ccccc1 CSC011909438 [0,1,0,0,0,0|2,0,0]=3 35 B13R1.713 CC(=O)N[C@@H](CO)c1ccccc1 CSC011995718 [0,1,0,0,0,0|1,0,0]=2 36 B13R1.713 CCC(NC(C)C)c1ccccc1 CSC000712692 [0,1,0,0,0,0|2,0,1]=4 37 B13R2.10 Cc1nnc(o1)c2ccccc2 CSC000011779 [0,0,0,1,0,0|2,0,1]=4 38 B11R1.36 CN(C(=O)C)c1ccccn1 CSC000243587 [0,0,0,0,1,0|2,0,0]=3 39 B11R1.36 NC(=O)C(O)c1ccccc1 CSC011200849 [0,0,0,0,1,0|2,0,0]=3 40 B11R1.36 NC(=O)[C@@H](O)c1ccccc1 CSC009816934 [0,0,0,0,1,0|2,0,0]=3 41 B13R1.45 CC(=O)COC(=O)c1ccccc1 CSC000000904 [0,0,0,0,0,1|1,0,1]=3 42 B13R1.45 CC(=O)NNC(=O)c1ccccc1 CSC000002264 [0,0,0,0,0,1|2,0,1]=4 43 B13R1.45 CC(=O)OCC(=O)c1ccccc1 CSC000000662 [0,0,0,0,0,1|1,0,1]=3 44 B13R1.45 CC(C)NCC(C)c1ccccc1 CSC000200219 [0,0,0,0,0,1|2,0,1]=4 45 B13R1.45 CC(CNC(=O)C)c1ccccc1 CSC000154521 [0,0,0,0,0,1|1,0,0]=2 46 B10R1.17 CCSCc1ccccc1 CSC000006444 [2,0,0,0,0,0|0,1,1]=4 47 B12R1.3 CCN[C@H](CO)c1ccccc1 CSC012017371 [1,1,0,0,0,0|1,0,1]=4 48 B12R1.16 CCNC(C)c1ccc(cc1)Br CSC000231352 [1,1,0,0,0,0|1,0,1]=4 49 B12R1.30 CC(NCCO)c1ccccc1 CSC000224688 [1,1,0,0,0,0|1,0,1]=4 50 B12R1.30 CCCNC(C)c1ccccc1 CSC000187307 [1,1,0,0,0,0|1,0,1]=4 51 B12R1.30 C[C@@H](NCC=C)c1ccccc1 CSC011934170 [1,1,0,0,0,0|1,0,1]=4 52 B12R1.30 C[C@@H](NCCO)c1ccccc1 CSC000753783 [1,1,0,0,0,0|1,0,1]=4 53 B12R1.21 CC(=O)COc1ccc(cc1)Cl CSC000150450 [1,1,0,0,0,0|2,0,0]=4 54 B12R1.21 CC(=O)CSc1ccc(cc1)C CSC000172844 [1,1,0,0,0,0|2,0,0]=4 55 B12R1.21 CC(=O)CSc1ccc(cc1)Cl CSC000150472 [1,1,0,0,0,0|2,0,0]=4 56 B12R1.21 CC(=O)CSc1ccc(cc1)F CSC000148136 [1,1,0,0,0,0|2,0,0]=4 57 B12R1.21 CC(=O)NCc1ccc(cc1)C CSC000154265 [1,1,0,0,0,0|1,0,0]=3 58 B12R1.21 CC(=O)NCc1ccc(cc1)Cl CSC000152849 [1,1,0,0,0,0|1,0,0]=3 59 B12R1.21 CC(=O)NCc1ccc(cc1)F CSC000152308 [1,1,0,0,0,0|1,0,0]=3 60 B12R1.21 CC(=O)NNc1ccc(cc1)Br CSC009815283 [1,1,0,0,0,0|2,0,0]=4 61 B12R1.21 CC(=O)NNc1ccc(cc1)C CSC000002330 [1,1,0,0,0,0|2,0,0]=4 62 B12R1.21 Cc1ccc(cc1)CNC(=O)N CSC000238954 [1,1,0,0,0,0|2,0,0]=4 63 B12R1.21 NC(=O)CCc1ccc(cc1)Cl CSC000022186 [1,1,0,0,0,0|2,0,0]=4 64 B12R1.21 NC(=O)NCc1ccc(cc1)F CSC000238953 [1,1,0,0,0,0|2,0,0]=4 65 B12R1.27 CCC(=O)NCc1ccccc1 CSC000153145 [1,1,0,0,0,0|1,0,0]=3 66 B12R1.27 CCC(=O)NCc1ccccn1 CSC000154896 [1,1,0,0,0,0|2,0,0]=4 67 B12R1.27 CCC(=O)NCc1cccnc1 CSC000154920 [1,1,0,0,0,0|2,0,0]=4 68 B12R1.27 CCC(=O)NCc1ccncc1 CSC000154908 [1,1,0,0,0,0|2,0,0]=4 69 B12R1.27 CCC(=O)NNc1ccccc1 CSC000001587 [1,1,0,0,0,0|2,0,0]=4 70 B12R1.27 CCC(=O)OCc1ccccc1 CSC000000848 [1,1,0,0,0,0|0,0,0]=2 71 B12R1.27 CNC(=O)CCc1ccccc1 CSC000159837 [1,1,0,0,0,0|1,0,0]=3 72 B12R1.27 CNC(=O)COc1ccccc1 CSC000150564 [1,1,0,0,0,0|2,0,0]=4 73 B12R1.27 CNC(=O)CSc1ccccc1 CSC000150703 [1,1,0,0,0,0|2,0,0]=4 74 B12R1.27 CNC(=O)NCc1ccccc1 CSC000222791 [1,1,0,0,0,0|1,0,0]=3 75 B12R1.27 CNC(=O)NCc1ccccn1 CSC000233842 [1,1,0,0,0,0|2,0,0]=4 76 B12R1.27 CNC(=O)NCc1cccnc1 CSC000233843 [1,1,0,0,0,0|2,0,0]=4 77 B12R1.27 CNC(=O)NCc1ccncc1 CSC000235220 [1,1,0,0,0,0|2,0,0]=4 78 B12R1.27 COC(=O)C#Cc1ccccc1 CSC011216089 [1,1,0,0,0,0|1,0,1]=4 79 B12R1.27 COC(=O)COc1ccccc1 CSC000148705 [1,1,0,0,0,0|2,0,0]=4 80 B12R1.27 COC(=O)CSc1ccccc1 CSC000151200 [1,1,0,0,0,0|2,0,0]=4 81 B12R1.27 COC(=O)NCc1ccccc1 CSC000235978 [1,1,0,0,0,0|1,0,0]=3 82 B12R1.27 NNC(=O)CCc1ccccc1 CSC000189782 [1,1,0,0,0,0|2,0,0]=4 83 B12R1.27 OCC(=O)NCc1ccccc1 CSC000246335 [1,1,0,0,0,0|1,0,0]=3 84 B12R1.43 CN(Cc1ccccc1)C(=O)C CSC000152884 [1,1,0,0,0,0|1,0,0]=3 85 B12R1.43 CN(Cc1ccccc1)C(=O)N CSC000238888 [1,1,0,0,0,0|2,0,0]=4 86 B12R1.43 N[C@@H](Cc1ccccc1)C(=O)N CSC011423145 [1,1,0,0,0,0|2,0,0]=4 87 B12R1.125 CC(=O)NCc1ccccc1Br CSC011237613 [1,1,0,0,0,0|1,0,0]=3 88 B12R1.125 CC(=O)NCc1ccccc1C CSC000175807 [1,1,0,0,0,0|1,0,0]=3 89 B12R1.125 CC(=O)NCc1ccccc1Cl CSC000155626 [1,1,0,0,0,0|1,0,0]=3 90 B12R1.125 CC(=O)NCc1cnccc1C CSC013037028 [1,1,0,0,0,0|2,0,0]=4 91 B12R1.125 CC(=O)NNc1ccccc1C CSC015226515 [1,1,0,0,0,0|2,0,0]=4 92 B12R1.125 CC(=O)OCc1ccccc1C CSC000000619 [1,1,0,0,0,0|0,0,0]=2 93 B12R1.125 CC(=O)OCc1ccncc1Cl CSC009843883 [1,1,0,0,0,0|1,0,0]=3 94 B12R1.125 NC(=O)CCc1ccccc1Cl CSC000162028 [1,1,0,0,0,0|2,0,0]=4 95 B12R1.125 NC(=O)CCc1ccccc1F CSC000016472 [1,1,0,0,0,0|2,0,0]=4 96 B12R1.226 CC(=O)NCc1cccc(c1)C CSC011222369 [1,1,0,0,0,0|1,0,0]=3 97 B12R1.226 NC(=O)NCc1cccc(c1)Cl CSC000238944 [1,1,0,0,0,0|2,0,0]=4 98 B12R1.891 CS(=O)(=O)NCc1ccccc1 CSC000169538 [1,1,0,0,0,0|2,0,0]=4 99 B12R1.20 CN(C(=O)C)c1ccc(cc1)O CSC000743460 [0,1,0,0,1,0|1,0,0]=3 100 B12R1.20 NC(=O)C(O)c1ccc(cc1)Cl CSC011626263 [0,1,0,0,1,0|2,0,0]=4 101 B12R1.124 CN(C(=O)C)c1ccccc1C CSC012109126 [0,1,0,0,1,0|1,0,0]=3 102 B12R1.253 NC(=O)C(F)(F)c1ccccc1 CSC000008717 [0,1,0,0,1,0|2,0,0]=4 103 B12R1.478 CCC(C(=O)N)c1ccccc1 CSC000192809 [0,1,0,0,1,0|1,0,0]=3 104 B12R1.478 CCN(C(=O)C)c1ccccc1 CSC000189716 [0,1,0,0,1,0|1,0,0]=3 105 B12R1.478 COC(C(=O)N)c1ccccc1 CSC011347434 [0,1,0,0,1,0|1,0,0]=3 106 B12R1.564 CN(c1ccccc1)S(=O)(=O)C CSC000165594 [0,1,0,0,1,0|2,0,0]=4 107 B14R1.149 CC(=O)COC(=O)c1cccc(c1)I CSC046533355 [0,1,0,0,0,1|1,0,1]=4 108 B14R1.163 CCC(=O)NCC(O)c1ccccc1 CSC000192752 [0,1,0,0,0,1|2,0,0]=4 109 B14R1.163 COC(=O)CNC(C)c1ccccc1 CSC000219428 [0,1,0,0,0,1|1,0,0]=3 110 B14R1.415 CC(NC(=O)C(=O)O)c1ccccc1 CSC011297148 [0,1,0,0,0,1|2,0,0]=4 111 B14R1.678 CC(=O)NCC(O)c1ccc(cc1)Cl CSC000044975 [0,1,0,0,0,1|2,0,0]=4 112 B14R1.678 CC(=O)OCC(=O)c1ccc(cc1)Br CSC009811547 [0,1,0,0,0,1|1,0,1]=4 113 B14R1.813 CC(=O)NCC(C)(O)c1ccccc1 CSC000142701 [0,1,0,0,0,1|1,0,0]=3 114 B14R1.813 CC(C)(CNC(=O)N)c1ccccc1 CSC000048167 [0,1,0,0,0,1|2,0,0]=4 115 B14R1.3098 CC(CNS(=O)(=O)C)c1ccccc1 CSC000222383 [0,1,0,0,0,1|2,0,0]=4 116 B14R1.549 CCC(Cc1ccccc1)NC(=O)C CSC000011921 [0,1,0,0,0,1|1,0,0]=3 117 B14R1.10 CC(NC(=O)CN)c1ccc(cc1)Br CSC000168359 [0,2,0,0,0,0|1,0,0]=3 118 B14R1.10 CC(NC(=O)CN)c1ccc(cc1)Cl CSC000168355 [0,2,0,0,0,0|1,0,0]=3 119 B14R1.10 CCC(=O)NC(C)c1ccc(cc1)Br CSC000153810 [0,2,0,0,0,0|1,0,0]=3 120 B14R1.10 CCC(=O)NC(C)c1ccc(cc1)C CSC011236860 [0,2,0,0,0,0|1,0,0]=3 121 B14R1.10 CCC(=O)NC(C)c1ccc(cc1)Cl CSC000153797 [0,2,0,0,0,0|1,0,0]=3 122 B14R1.11 CC(NC(=O)CN)c1cccc(c1)Cl CSC000168357 [0,2,0,0,0,0|1,0,0]=3 123 B14R1.11 CC(NC(=O)CN)c1cccc(c1)Cl CSC000168357 [0,2,0,0,0,0|1,0,0]=3 124 B14R1.29 CCCC(=O)NN(C)c1ccccc1 CSC035951941 [0,2,0,0,0,0|2,0,0]=4 125 B14R1.29 CCNC(=O)CC(C)c1ccccc1 CSC031226699 [0,2,0,0,0,0|1,0,0]=3 126 B14R1.29 CCOC(=O)C=C(C)c1ccccc1 CSC046261641 [0,2,0,0,0,0|1,0,1]=4 127 B14R1.29 CNCC(=O)NC(C)c1ccccc1 CSC000168099 [0,2,0,0,0,0|1,0,0]=3 128 B14R1.29 COCC(=O)N[C@H](C)c1ccccc1 CSC011908460 [0,2,0,0,0,0|1,0,0]=3 129 B14R1.587 CC(NC(=O)CN)c1ccccc1Br CSC000213965 [0,2,0,0,0,0|1,0,0]=3 130 B14R1.587 CCC(=O)NC(C)c1ccccc1C CSC000153892 [0,2,0,0,0,0|1,0,0]=3 131 B14R1.741 COC(=O)CC(C)(O)c1ccccc1 CSC009890345 [0,2,0,0,0,0|1,0,0]=3 132 B14R1.3297 CCN(CC(=O)OC)c1ccccc1 CSC000188308 [0,2,0,0,0,0|2,0,0]=4 133 B14R1.2 CC(NC(=O)C)c1ccc(cc1)C#N CSC011237696 [0,2,0,0,0,0|1,0,0]=3 134 B14R1.2 CCc1ccc(cc1)C(C)NC(=O)C CSC000153881 [0,2,0,0,0,0|1,0,0]=3 135 B14R1.2 COc1ccc(cc1)C(C)CC(=O)N CSC009885428 [0,2,0,0,0,0|2,0,0]=4 136 B14R1.2 COc1ccc(cc1)C(C)NC(=O)C CSC011237584 [0,2,0,0,0,0|1,0,0]=3 137 B14R1.683 CC(NS(=O)(=O)C)c1ccc(cc1)Br CSC000222457 [0,2,0,0,0,0|2,0,0]=4 138 B14R1.683 CC(NS(=O)(=O)C)c1ccc(cc1)C CSC011408233 [0,2,0,0,0,0|2,0,0]=4 139 B14R1.685 CC(NC(=O)C)c1ccc(c(c1)Cl)Cl CSC000153885 [0,2,0,0,0,0|1,0,0]=3 140 B14R1.694 CC(=O)NC(C)(C)c1ccc(cc1)Br CSC011280945 [0,2,0,0,0,0|1,0,0]=3 141 B14R1.1019 CC(=O)NC(C#N)c1ccc(cc1)Cl CSC000063712 [0,2,0,0,0,0|1,0,1]=4 142 B14R1.1019 CCC(NC(=O)C)c1ccc(cc1)C CSC000154481 [0,2,0,0,0,0|1,0,0]=3 143 B14R1.6048 CC(NC(=O)C)c1ccc(cc1C)C CSC011237706 [0,2,0,0,0,0|1,0,0]=3 144 B14R1.74 CC(NC(=O)C)c1cccc(c1)C#N CSC009824901 [0,2,0,0,0,0|1,0,0]=3 145 B14R1.840 COc1ccccc1C(C)NC(=O)C CSC000152423 [0,2,0,0,0,0|1,0,0]=3 146 B14R1.4451 CC(NS(=O)(=O)C)c1ccccc1C CSC000222392 [0,2,0,0,0,0|2,0,0]=4 147 B14R1.6455 CC(=O)NC(C(=O)O)c1ccccc1 CSC000195599 [0,2,0,0,0,0|1,0,1]=4 148 B12R2.18 Cn1c2ccccc2oc1=O CSC000171226 [0,0,0,1,1,0|2,0,0]=4 149 B14R2.68 O=C1CCC(=NN1)c2ccccc2 CSC000005677 [0,0,0,1,0,1|1,0,1]=4 150 B14R2.642 CC1Cc2ccccc2N1C(=O)C CSC000152737 [0,0,0,1,0,1|1,0,0]=3 151 B14R2.2 CC(=O)OC1CCc2c1nccc2 CSC000717517 [0,1,0,1,0,0|1,0,0]=3 152 B10R1.18 CS(=O)Cc1ccccc1 CSC000064350 [1,0,0,0,1,0|1,0,0]=3 153 B10R1.66 CC(=O)NCc1cccs1 CSC000154743 [1,0,0,0,1,0|2,0,0]=4 154 B12R1.252 CC(=C)CNCc1ccccc1 CSC000224140 [1,0,0,0,0,1|2,0,0]=4 155 B12R1.252 CC(=CCOc1ccccc1)C CSC000173691 [1,0,0,0,0,1|2,0,0]=4 156 B12R1.252 CC(=O)CCSc1ccccc1 CSC000208507 [1,0,0,0,0,1|1,0,0]=3 157 B12R1.252 CC(=O)CCSc1ccccn1 CSC000208669 [1,0,0,0,0,1|2,0,0]=4 158 B12R1.252 CC(=O)CSCc1ccccc1 CSC000172147 [1,0,0,0,0,1|0,1,0]=3 159 B12R1.252 CC(=O)NCCc1ccccc1 CSC000153396 [1,0,0,0,0,1|1,0,0]=3 160 B12R1.252 CC(=O)OCCc1ccccc1 CSC000024547 [1,0,0,0,0,1|0,0,0]=2 161 B12R1.252 NC(=O)CCCc1ccccc1 CSC011273634 [1,0,0,0,0,1|2,0,0]=4 162 B12R1.252 NC(=O)CSCc1ccccc1 CSC000149389 [1,0,0,0,0,1|1,1,0]=4 163 B12R1.252 NC(=O)NCCc1ccccc1 CSC000238938 [1,0,0,0,0,1|2,0,0]=4 164 B14R1.818 CC(CCc1ccccc1)NC(=O)C CSC000155384 [0,0,0,0,0,2|1,0,0]=3 165 B14R1.818 CC(CCc1ccccc1)OC(=O)C CSC000033637 [0,0,0,0,0,2|0,0,0]=2