0 B13R1.713 CCC(NC(C)C)c1ccccc1 CSC000712692 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.107 CC(C)NC(=O)c1ccccc1 CSC000157549 [1,0,0,0,0,0|1,0,0]=2 2 B12R1.107 CC(C)NC(=O)c1cccnc1 CSC000157531 [1,0,0,0,0,0|2,0,0]=3 3 B12R1.107 CC(C)OC(=O)c1ccccc1 CSC000170135 [1,0,0,0,0,0|1,0,0]=2 4 B12R1.107 CC(C)OC(=O)c1ccccn1 CSC000169883 [1,0,0,0,0,0|2,0,0]=3 5 B14R1.1027 CCN(C(=O)C(C)C)c1ccccc1 CSC000189718 [0,1,0,0,0,0|2,0,1]=4 6 B14R2.21 Cc1cncc(c1)c2ccccc2 CSC000041237 [0,0,0,1,0,0|1,0,2]=4 7 B11R1.16 CCNC(=O)c1ccccc1 CSC000160121 [2,0,0,0,0,0|1,0,0]=3 8 B11R1.16 CCNC(=O)c1cccnc1 CSC000160098 [2,0,0,0,0,0|2,0,0]=4 9 B11R1.16 CCOC(=O)c1ccccn1 CSC000169882 [2,0,0,0,0,0|2,0,0]=4 10 B11R1.16 CCOC(=O)c1ccncc1 CSC000169898 [2,0,0,0,0,0|2,0,0]=4 11 B11R1.16 CSCC(=O)c1ccccc1 CSC000748581 [2,0,0,0,0,0|1,0,1]=4 12 B11R1.91 CC(C)SCc1ccccc1 CSC000006445 [2,0,0,0,0,0|1,0,1]=4 13 B13R1.11 CC(CO)NC(=O)c1ccccc1 CSC011241097 [1,1,0,0,0,0|1,0,0]=3 14 B13R1.11 CCC(C)NC(=O)c1ccccc1 CSC000157914 [1,1,0,0,0,0|1,0,0]=3 15 B13R1.11 CCC(C)NC(=O)c1cccnc1 CSC000157897 [1,1,0,0,0,0|2,0,0]=4 16 B13R1.11 CCC(C)OC(=O)c1ccccc1 CSC000062829 [1,1,0,0,0,0|1,0,0]=3 17 B13R1.132 CC(C)NC(=O)c1ccc(cc1)Br CSC000152628 [1,1,0,0,0,0|1,0,0]=3 18 B13R1.132 CC(C)NC(=O)c1ccc(cc1)C CSC000157558 [1,1,0,0,0,0|1,0,0]=3 19 B13R1.132 CC(C)NC(=O)c1ccc(cc1)Cl CSC000157530 [1,1,0,0,0,0|1,0,0]=3 20 B13R1.132 CC(C)NC(=O)c1ccc(cc1)F CSC000157527 [1,1,0,0,0,0|1,0,0]=3 21 B13R1.132 CC(C)NC(=O)c1ccc(cc1)I CSC000152630 [1,1,0,0,0,0|1,0,0]=3 22 B13R1.132 CC(C)NC(=O)c1ccc(cc1)N CSC000742665 [1,1,0,0,0,0|1,0,0]=3 23 B13R1.132 CC(C)OC(=O)c1ccc(cc1)C CSC000170176 [1,1,0,0,0,0|1,0,0]=3 24 B13R1.132 CC(C)OC(=O)c1ccc(cc1)F CSC000169907 [1,1,0,0,0,0|1,0,0]=3 25 B13R1.147 CC(C)NC(=O)c1cc(ccn1)Cl CSC000194098 [1,1,0,0,0,0|2,0,0]=4 26 B13R1.147 CC(C)NC(=O)c1cccc(c1)Br CSC000152632 [1,1,0,0,0,0|1,0,0]=3 27 B13R1.147 CC(C)NC(=O)c1cccc(c1)Cl CSC000157539 [1,1,0,0,0,0|1,0,0]=3 28 B13R1.147 CC(C)NC(=O)c1cccc(c1)F CSC000157609 [1,1,0,0,0,0|1,0,0]=3 29 B13R1.147 CC(C)NC(=O)c1cccc(c1)I CSC000152634 [1,1,0,0,0,0|1,0,0]=3 30 B13R1.147 CC(C)NC(=O)c1cccc(c1)N CSC000738563 [1,1,0,0,0,0|1,0,0]=3 31 B13R1.147 CC(C)NC(=O)c1cncc(c1)Br CSC000152636 [1,1,0,0,0,0|2,0,0]=4 32 B13R1.147 CC(C)OC(=O)c1cccc(c1)Cl CSC000170059 [1,1,0,0,0,0|1,0,0]=3 33 B13R1.147 CC(C)OC(=O)c1cccc(c1)O CSC000169911 [1,1,0,0,0,0|1,0,0]=3 34 B13R1.152 CC(C)C(=O)N(C)c1ccccc1 CSC000189715 [1,1,0,0,0,0|1,0,1]=4 35 B13R1.201 CC(C)NC(=O)c1cccc[n+]1[O-] CSC015991716 [1,1,0,0,0,0|2,0,0]=4 36 B13R1.201 CC(C)NC(=O)c1ccccc1Br CSC000152627 [1,1,0,0,0,0|1,0,0]=3 37 B13R1.201 CC(C)NC(=O)c1ccccc1C CSC000157570 [1,1,0,0,0,0|1,0,0]=3 38 B13R1.201 CC(C)NC(=O)c1ccccc1Cl CSC000157521 [1,1,0,0,0,0|1,0,0]=3 39 B13R1.201 CC(C)NC(=O)c1ccccc1F CSC000157545 [1,1,0,0,0,0|1,0,0]=3 40 B13R1.201 CC(C)NC(=O)c1ccccc1I CSC000152633 [1,1,0,0,0,0|1,0,0]=3 41 B13R1.201 CC(C)NC(=O)c1ccccc1N CSC000180276 [1,1,0,0,0,0|1,0,0]=3 42 B13R1.201 CC(C)OC(=O)c1ccccc1Br CSC000169877 [1,1,0,0,0,0|1,0,0]=3 43 B13R1.201 CC(C)OC(=O)c1ccccc1Cl CSC000169880 [1,1,0,0,0,0|1,0,0]=3 44 B13R1.201 CC(C)OC(=O)c1ccccc1F CSC000170100 [1,1,0,0,0,0|1,0,0]=3 45 B13R1.201 CC(C)OC(=O)c1ccccc1O CSC000169923 [1,1,0,0,0,0|1,0,0]=3 46 B13R1.347 CC(C)NS(=O)(=O)c1ccccc1 CSC000164645 [1,1,0,0,0,0|2,0,0]=4 47 B13R1.352 CC(C)(C)NC(=O)c1ccccc1 CSC000171332 [1,1,0,0,0,0|1,0,0]=3 48 B13R1.352 CC(C)(C)NC(=O)c1cccnc1 CSC000171318 [1,1,0,0,0,0|2,0,0]=4 49 B13R1.352 CC(C)(C)NC(=O)c1ccncc1 CSC000171315 [1,1,0,0,0,0|2,0,0]=4 50 B13R1.1111 CC(C)C(C(=O)N)c1ccccc1 CSC009878374 [0,1,0,0,1,0|0,0,1]=3 51 B15R1.9083 CC(C)CC(NC(=O)N)c1ccccc1 CSC000024703 [0,2,0,0,0,0|0,0,2]=4 52 B15R1.5903 CC(C)(C)OC(C(=O)N)c1ccccc1 CSC061281070 [0,2,0,0,0,0|1,0,1]=4 53 B15R1.922 CC(C)NC(C(=O)N)c1ccc(cc1)F CSC011190736 [0,2,0,0,0,0|1,0,1]=4 54 B13R2.690 O=C(NC1CC1)c2ccccc2 CSC000160639 [1,0,0,1,0,0|1,0,0]=3 55 B13R2.690 O=C(NC1CC1)c2ccccn2 CSC000160612 [1,0,0,1,0,0|2,0,0]=4 56 B13R2.690 O=C(NC1CC1)c2cccnc2 CSC000160621 [1,0,0,1,0,0|2,0,0]=4 57 B15R2.59 CN(C)c1nc(cs1)c2ccccc2 CSC000169237 [0,0,0,1,0,1|1,1,0]=4 58 B15R2.1668 CC(C)Sc1ccc2ccccc2c1 CSC048362076 [0,0,0,1,0,1|2,0,0]=4 59 B15R2.988 CC1CN(c2ccccc2C1)C(=O)C CSC011854803 [0,1,0,1,0,0|1,0,1]=4 60 B15R2.993 CC(C)Cn1c2ccccc2oc1=O CSC046535050 [0,1,0,1,0,0|1,0,1]=4 61 B11R1.36 CN(C)C(=O)c1ccccc1 CSC000159565 [1,0,0,0,1,0|1,0,0]=3 62 B11R1.36 CN(C)C(=O)c1cccnc1 CSC000159538 [1,0,0,0,1,0|2,0,0]=4 63 B11R1.77 CC(C)NC(=O)c1ccco1 CSC000157534 [1,0,0,0,1,0|2,0,0]=4 64 B11R1.77 CC(C)NC(=O)c1cccs1 CSC000157592 [1,0,0,0,1,0|2,0,0]=4 65 B13R1.45 CC(C)CNC(=O)c1ccccc1 CSC000160781 [1,0,0,0,0,1|0,0,1]=3 66 B13R1.45 CC(C)CNC(=O)c1cccnc1 CSC000160764 [1,0,0,0,0,1|1,0,1]=4 67 B13R1.45 CC(C)COC(=O)c1ccccc1 CSC000005832 [1,0,0,0,0,1|0,0,1]=3 68 B13R1.45 CC(O)CNC(=O)c1ccccc1 CSC000192576 [1,0,0,0,0,1|1,0,1]=4 69 B13R1.348 CC(C)CC(=O)Nc1ccccc1 CSC000153490 [1,0,0,0,0,1|0,0,1]=3 70 B13R1.348 CC(C)CC(=O)Nc1ccccn1 CSC000017119 [1,0,0,0,0,1|1,0,1]=4 71 B13R1.348 CC(C)CC(=O)Nc1ccncc1 CSC015261223 [1,0,0,0,0,1|1,0,1]=4 72 B13R1.348 CC(C)NC(=O)Nc1ccccc1 CSC000163078 [1,0,0,0,0,1|1,0,0]=3 73 B13R1.348 CN(C)CC(=O)Nc1ccccc1 CSC000167966 [1,0,0,0,0,1|1,0,1]=4