0 B14R2.598 Cc1cc(n(n1)c2ncccn2)C CSC011310454 [0,0,0,0,0,0|3,0,1]=4 1 B14R2.598 Cc1nc(c(s1)C)c2ccccc2 CSC000169050 [0,0,0,0,0,0|3,0,1]=4 2 B13R2.10 Cc1csc(n1)c2ccccc2 CSC000169097 [1,0,0,0,0,0|2,0,1]=4 3 B13R2.10 Cn1ccc(n1)c2ccccc2 CSC012186690 [1,0,0,0,0,0|2,0,1]=4 4 B15R2.309 CC1=NN(C(=O)C1)c2ccc(cc2)Br CSC000741442 [0,1,0,0,0,0|0,0,2]=3 5 B15R2.309 CC1=NN(C(=O)C1)c2ccc(cc2)C CSC000175165 [0,1,0,0,0,0|0,0,2]=3 6 B15R2.309 CC1=NN(C(=O)C1)c2ccc(cc2)Cl CSC000175127 [0,1,0,0,0,0|0,0,2]=3 7 B15R2.309 Cc1cc(n(n1)c2ccc(cc2)Cl)C CSC000175126 [0,1,0,0,0,0|1,0,1]=3 8 B15R2.321 CC1C(=NN(C1=O)c2ccccc2)C CSC011390981 [0,1,0,0,0,0|0,0,2]=3 9 B15R2.334 CC1=NN(C(=O)C1)c2cccc(c2)C CSC000175169 [0,1,0,0,0,0|0,0,2]=3 10 B15R2.334 Cc1cc(n(n1)c2cccc(c2)Br)C CSC000222777 [0,1,0,0,0,0|1,0,1]=3 11 B15R2.334 Cc1cc(n(n1)c2cccc(c2)Cl)C CSC000175186 [0,1,0,0,0,0|1,0,1]=3 12 B15R2.557 CC1=NN(C(=O)C1)c2ccccc2C CSC000175123 [0,1,0,0,0,0|0,0,2]=3 13 B15R2.557 CC1=NN(C(=O)C1)c2ccccc2Cl CSC000175179 [0,1,0,0,0,0|0,0,2]=3 14 B15R2.557 Cc1cc(n(n1)c2ccccc2Br)C CSC011313176 [0,1,0,0,0,0|1,0,1]=3 15 B15R2.557 Cc1cc(n(n1)c2ccccc2Cl)C CSC000175178 [0,1,0,0,0,0|1,0,1]=3 16 B13R1.47 COCC(=O)N(C)c1ccccc1 CSC000158329 [0,0,1,0,0,0|2,0,1]=4 17 B13R1.348 CC(C)CC(=O)Nc1ccccc1 CSC000153490 [0,0,1,0,0,0|1,0,2]=4 18 B13R1.348 CC(C)NC(=O)Nc1ccccc1 CSC000163078 [0,0,1,0,0,0|2,0,1]=4 19 B13R1.348 CN(C)CC(=O)Nc1ccccc1 CSC000167966 [0,0,1,0,0,0|2,0,1]=4 20 B13R1.405 CC(=O)N(CC=C)c1ccccc1 CSC000025029 [0,0,1,0,0,0|1,0,2]=4 21 B15R2.33 CC1=NN(C(=O)CC1)c2ccccc2 CSC000005672 [0,0,0,0,0,1|0,0,2]=3 22 B15R2.325 CC1=NN(C(=O)C1)Cc2ccccc2 CSC000175214 [0,0,0,0,0,1|0,0,2]=3 23 B12R1.32 CCNC(=O)Nc1ccccc1 CSC000163281 [1,0,1,0,0,0|1,0,1]=4 24 B12R1.32 CNCC(=O)Nc1ccccc1 CSC000168086 [1,0,1,0,0,0|1,0,1]=4 25 B12R1.32 NCCC(=O)Nc1ccccc1 CSC011195676 [1,0,1,0,0,0|0,0,2]=4 26 B12R1.34 CCC(=O)N(C)c1ccccc1 CSC000158323 [1,0,1,0,0,0|1,0,1]=4 27 B12R1.478 CCN(C(=O)C)c1ccccc1 CSC000189716 [1,0,1,0,0,0|0,0,2]=4 28 B12R1.107 CN(NC(=O)C)c1ccccc1 CSC000017130 [1,0,1,0,0,0|1,0,1]=4 29 B12R2.2 c1c[nH]c(n1)c2ccccc2 CSC000211779 [2,0,0,0,0,0|2,0,0]=4 30 B14R1.337 CC(N)CC(=O)Nc1ccccc1Cl CSC011357081 [0,1,1,0,0,0|0,0,2]=4 31 B14R1.698 CC(N)CC(=O)Nc1ccc(cc1)Br CSC011357078 [0,1,1,0,0,0|0,0,2]=4 32 B14R1.698 CC(N)CC(=O)Nc1ccc(cc1)Cl CSC011357073 [0,1,1,0,0,0|0,0,2]=4 33 B14R1.698 CC(N)CC(=O)Nc1ccc(cc1)I CSC011357165 [0,1,1,0,0,0|0,0,2]=4 34 B14R1.5978 CC(N)CC(=O)Nc1cccc(c1)Br CSC011357079 [0,1,1,0,0,0|0,0,2]=4 35 B14R1.5978 CC(N)CC(=O)Nc1cccc(c1)Cl CSC011357071 [0,1,1,0,0,0|0,0,2]=4 36 B14R1.5978 CC(N)CC(=O)Nc1cccc(c1)I CSC011357166 [0,1,1,0,0,0|0,0,2]=4 37 B14R1.6455 CC(=O)NC(C(=O)O)c1ccccc1 CSC000195599 [0,1,1,0,0,0|2,0,0]=4 38 B14R2.8 CSc1ncn(n1)c2ccccc2 CSC016170360 [1,1,0,0,0,0|1,0,1]=4 39 B14R2.20 Cc1ccc(o1)c2ccc(cc2)N CSC000185975 [1,1,0,0,0,0|2,0,0]=4 40 B14R2.22 Cc1ccc(o1)c2cccc(c2)N CSC011216340 [1,1,0,0,0,0|2,0,0]=4 41 B14R2.256 Cc1ccc(o1)c2ccccc2N CSC011217610 [1,1,0,0,0,0|2,0,0]=4 42 B16R2.2859 CC1=NN(C(=O)CC1)c2ccc(cc2)Br CSC009814886 [0,1,0,0,0,1|0,0,2]=4 43 B16R2.2859 CC1=NN(C(=O)CC1)c2ccc(cc2)C CSC000005687 [0,1,0,0,0,1|0,0,2]=4 44 B16R2.2898 Cc1nn(c(c1Br)C)Cc2ccccc2 CSC011616465 [0,1,0,0,0,1|1,0,1]=4 45 B16R2.4064 Cc1cc(n(n1)Cc2ccccc2Cl)C CSC011836426 [0,1,0,0,0,1|1,0,1]=4 46 B16R2.50 Cc1cc(n(n1)c2ccc(cc2)C#N)C CSC011229463 [0,2,0,0,0,0|1,0,1]=4 47 B16R2.26184 CC1=NN(C(=O)C1)c2ccc(cc2Cl)Cl CSC000175211 [0,2,0,0,0,0|0,0,2]=4 48 B16R2.3001 CC1=NN(C(=O)C1)c2cc(ccc2C)C CSC000175225 [0,2,0,0,0,0|0,0,2]=4 49 B16R2.3806 CCCC1=NN(C(=O)C1)c2ccccc2 CSC000175133 [0,2,0,0,0,0|0,0,2]=4 50 B16R2.3806 COCC1=NN(C(=O)C1)c2ccccc2 CSC000175136 [0,2,0,0,0,0|0,0,2]=4 51 B14R2.2 CC(=C)Cn1cnc2c1cccc2 CSC000171499 [0,0,1,1,0,0|2,0,0]=4 52 B12R1.43 CC(C)C(=O)Nc1ccccc1 CSC000153472 [0,0,1,0,1,0|1,0,1]=4 53 B12R1.43 NC(=O)C(=O)Nc1ccccc1 CSC000015721 [0,0,1,0,1,0|1,0,0]=3 54 B14R1.423 CC(=O)CCC(=O)Nc1ccccc1 CSC015363907 [0,0,1,0,0,1|1,0,1]=4 55 B14R1.423 CC(=O)NCC(=O)Nc1ccccc1 CSC000158312 [0,0,1,0,0,1|1,0,1]=4 56 B16R2.317 Brc1ccc(=O)n(c1)Cc2ccccc2 CSC000151737 [0,0,0,0,0,2|2,0,0]=4 57 B16R2.317 Cc1ccc(=O)n(n1)Cc2ccccc2 CSC000060106 [0,0,0,0,0,2|0,0,1]=3 58 B16R2.312 Cc1cnn(c(=O)c1)Cc2ccccn2 CSC028009876 [0,0,0,0,0,2|1,0,1]=4 59 B16R2.2904 CC1=NN(C(=O)C1)CCc2ccccc2 CSC000052269 [0,0,0,0,0,2|0,0,2]=4