0 B14R2.256 CC1=CC=CC=C1C2=CSC(N)=N2 CS-W002946 [0,0,0,0,0,0|1,1,2]=4 1 B14R2.256 NC1=CC(C2=CC=CC=C2Br)=NO1 CS-0217139 [0,0,0,0,0,0|2,1,1]=4 2 B14R2.256 NC1=CC(C2=CC=CC=C2F)=NO1 CS-0258082 [0,0,0,0,0,0|2,1,1]=4 3 B14R2.256 NC1=NC(C2=CC=CC=C2Br)=CS1 CS-0106200 [0,0,0,0,0,0|0,2,2]=4 4 B14R2.256 NC1=NC(C2=CC=CC=C2Cl)=CS1 CS-W002756 [0,0,0,0,0,0|0,1,2]=3 5 B14R2.256 NC1=NN=C(C2=CC=CC=C2Cl)S1 CS-0070937 [0,0,0,0,0,0|3,0,1]=4 6 B14R2.256 NC1=NNC(C2=CC=CC=C2Cl)=C1 CS-0146997 [0,0,0,0,0,0|3,0,1]=4 7 B14R2.256 O=C1CC(C2=C(Br)C=CC=C2)CN1 CS-0149869 [0,0,0,0,0,0|3,1,0]=4 8 B13R2.10 CC1=NC(C2=CC=CC=C2)=NO1 CS-0126655 [1,0,0,0,0,0|2,0,1]=4 9 B13R2.10 NC1=CC(C2=CC=CC=C2)=NO1 CS-W017937 [1,0,0,0,0,0|2,0,1]=4 10 B13R2.10 NC1=NC(C2=CC=CC=C2)=CO1 CS-0046180 [1,0,0,0,0,0|0,0,2]=3 11 B13R2.10 NC1=NC(C2=CC=CC=C2)=CS1 CS-W017405 [1,0,0,0,0,0|0,1,2]=4 12 B13R2.10 NC1=NC(C2=CC=CC=C2)=NS1 CS-0074158 [1,0,0,0,0,0|1,1,1]=4 13 B13R2.10 NC1=NN(C2=CC=CC=C2)C=C1 CS-0060554 [1,0,0,0,0,0|2,0,1]=4 14 B13R2.10 NC1=NN(C2=CC=CC=C2)CC1 CS-0127236 [1,0,0,0,0,0|2,0,0]=3 15 B13R2.10 NC1=NOC(C2=CC=CC=C2)=N1 CS-0213058 [1,0,0,0,0,0|2,0,1]=4 16 B13R2.10 O=C1CC(C2=CC=CC=C2)CN1 CS-W018637 [1,0,0,0,0,0|3,0,0]=4 17 B13R2.10 O=C1CCC(C2=CC=CC=C2)C1 CS-0139334 [1,0,0,0,0,0|3,0,0]=4 18 B13R2.10 O=C1CC[C@H](C2=CC=CC=C2)N1 CS-0098324 [1,0,0,0,0,0|2,0,1]=4 19 B13R2.10 O=C1N=C(C2=CC=CC=C2)NO1 CS-0043875 [1,0,0,0,0,0|2,0,1]=4 20 B13R2.10 O=C1NC(C2=CC=CC=C2)CO1 CS-0039132 [1,0,0,0,0,0|1,0,1]=3 21 B13R2.10 O=C1NC(C2=CC=CC=C2)CS1 CS-0050784 [1,0,0,0,0,0|1,1,1]=4 22 B13R2.10 O=C1NCC(C2=CC=CC=C2)O1 CS-0455553 [1,0,0,0,0,0|3,0,0]=4 23 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 CS-0031471 [1,0,0,0,0,0|1,0,1]=3 24 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 CS-W017924 [1,0,0,0,0,0|1,0,1]=3 25 B13R2.10 O=C1OCC(C2=CC=CC=C2)O1 CS-0697972 [1,0,0,0,0,0|2,0,0]=3 26 B13R2.10 S=C1N[C@@H](C2=CC=CC=C2)CO1 CS-0093692 [1,0,0,0,0,0|1,0,1]=3 27 B13R2.10 S=C1N[C@@H](C2=CC=CC=C2)CS1 CS-0093691 [1,0,0,0,0,0|1,1,1]=4 28 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CO1 CS-W017256 [1,0,0,0,0,0|1,0,1]=3 29 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CS1 CS-0053184 [1,0,0,0,0,0|1,1,1]=4 30 B13R2.18 BrC1=CC=CC=C1C2=COC=N2 CS-0366275 [1,0,0,0,0,0|0,1,2]=4 31 B13R2.18 ClC1=C([C@H]2CCCN2)C=CC=C1 CS-0197444 [1,0,0,0,0,0|1,0,2]=4 32 B13R2.18 ClC1=CC=CC=C1[C@@H]2CCCN2 CS-0196591 [1,0,0,0,0,0|1,0,2]=4 33 B13R2.18 FC1=CC=CC=C1C2=COC=N2 CS-0616790 [1,0,0,0,0,0|0,1,2]=4 34 B15R2.290 NC1=NC(C2=CC(Cl)=CC=C2Cl)=CS1 CS-0071380 [0,1,0,0,0,0|0,1,2]=4 35 B15R2.2243 NCC1=NC(C2=CC=CC=C2Cl)=NO1 CS-0208339 [0,1,0,0,0,0|1,0,1]=3 36 B15R2.2243 NCC1=NC(C2=CC=CC=C2F)=NO1 CS-0461780 [0,1,0,0,0,0|1,1,1]=4 37 B15R2.6956 NC1=NC(C2=C(Cl)C=CC=C2Cl)=CS1 CS-0695342 [0,1,0,0,0,0|0,1,2]=4 38 B13R1.158 O=C(O)CCCC1=CC=CC=C1Cl CS-0031171 [0,0,1,0,0,0|3,0,0]=4 39 B13R1.201 CC(CC(=O)O)C1=CC=CC=C1Cl CS-0154071 [0,0,1,0,0,0|2,0,0]=3 40 B13R1.201 CC1=CC=CC=C1C(C)CC(=O)O CS-0261612 [0,0,1,0,0,0|3,0,0]=4 41 B13R1.201 N[C@H](CC(=O)O)C1=CC=CC=C1Cl CS-0186130 [0,0,1,0,0,0|3,0,0]=4 42 B13R1.201 O=C(O)CC(O)C1=CC=CC=C1Cl CS-0345576 [0,0,1,0,0,0|3,0,0]=4 43 B13R1.528 COC(=O)CCC1=CC=CC=C1Br CS-W010269 [0,0,1,0,0,0|2,1,0]=4 44 B13R1.528 COC(=O)CCC1=CC=CC=C1F CS-0208728 [0,0,1,0,0,0|2,1,0]=4 45 B13R1.528 COC(=O)CCC1=CC=CC=C1O CS-0356885 [0,0,1,0,0,0|3,0,0]=4 46 B15R3.2009 [C@@H]12NC(=O)O[C@@H]1CC3=C2C=CC=C3 CS-0098288 [0,0,0,1,0,0|2,0,1]=4 47 B15R3.2009 [C@H]12CC3=C(C=CC=C3)[C@H]1NC(=O)O2 CS-0093685 [0,0,0,1,0,0|2,0,1]=4 48 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 CS-W017905 [1,0,1,0,0,0|2,0,0]=4 49 B12R1.107 CC(NC(N)=S)C1=CC=CC=C1 CS-0212957 [1,0,1,0,0,0|0,1,1]=4 50 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 CS-0066979 [1,0,1,0,0,0|2,0,0]=4 51 B12R1.125 CC(=O)CCC1=CC=CC=C1Cl CS-0254012 [1,0,1,0,0,0|2,0,0]=4 52 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl CS-W016978 [1,0,1,0,0,0|2,0,0]=4 53 B12R1.27 COC(=O)CCC1=CC=CC=C1 CS-W007828 [1,0,1,0,0,0|2,0,0]=4 54 B12R1.27 COC(=O)NCC1=CC=CC=C1 CS-0150648 [1,0,1,0,0,0|1,0,1]=4 55 B14R1.160 NC(=O)OC[C@@H](O)C1=CC=CC=C1Cl CS-0003652 [0,1,1,0,0,0|1,0,0]=3 56 B14R2.8 NCC1=NC(C2=CC=CC=C2)=NO1 CS-0022311 [1,1,0,0,0,0|1,0,1]=4 57 B12R1.124 CC(C(=O)O)C1=CC=CC=C1Cl CS-0042607 [0,0,1,0,1,0|1,0,0]=3 58 B12R1.124 CC(C(=O)O)C1=CC=CC=C1F CS-0259433 [0,0,1,0,1,0|1,1,0]=4 59 B12R1.124 NC(C(=O)O)C1=CC=CC=C1Cl CS-W002235 [0,0,1,0,1,0|2,0,0]=4 60 B12R1.124 N[C@@H](C(=O)O)C1=CC=CC=C1Cl CS-0269458 [0,0,1,0,1,0|2,0,0]=4 61 B12R1.124 N[C@H](C(=O)O)C1=CC=CC=C1Cl CS-0031365 [0,0,1,0,1,0|2,0,0]=4 62 B12R1.124 O=C(O)C(Br)C1=CC=CC=C1Cl CS-0128823 [0,0,1,0,1,0|2,0,0]=4 63 B12R1.124 O=C(O)C(O)C1=CC=CC=C1Cl CS-W002349 [0,0,1,0,1,0|2,0,0]=4 64 B12R1.124 O=C(O)[C@@H](O)C1=CC=CC=C1Cl CS-W002685 [0,0,1,0,1,0|2,0,0]=4 65 B12R1.124 O=C(O)[C@H](O)C1=CC=CC=C1Cl CS-W016881 [0,0,1,0,1,0|2,0,0]=4 66 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 CS-0042528 [0,0,1,0,1,0|2,0,0]=4 67 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 CS-W019167 [0,0,1,0,1,0|2,0,0]=4 68 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 CS-W019150 [0,0,1,0,1,0|2,0,0]=4 69 B12R1.371 COC(=O)CC1=CC=CC=C1Br CS-W004685 [0,0,1,0,1,0|1,1,0]=4 70 B12R1.371 COC(=O)CC1=CC=CC=C1C CS-0088539 [0,0,1,0,1,0|2,0,0]=4 71 B12R1.371 COC(=O)CC1=CC=CC=C1Cl CS-0030578 [0,0,1,0,1,0|1,0,0]=3 72 B12R1.371 COC(=O)CC1=CC=CC=C1F CS-0061879 [0,0,1,0,1,0|1,1,0]=4 73 B12R1.371 COC(=O)CC1=CC=CC=C1I CS-0132055 [0,0,1,0,1,0|1,1,0]=4 74 B12R1.371 COC(=O)CC1=CC=CN=C1Cl CS-0312351 [0,0,1,0,1,0|2,0,0]=4 75 B12R2.22 NC1CC(C2=CC=CC=C2)C1 CS-0051224 [1,0,0,0,1,0|1,0,1]=4 76 B12R2.22 N[C@H]1C[C@@H](C2=CC=CC=C2)C1 CS-0184265 [1,0,0,0,1,0|1,0,1]=4 77 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 CS-0054863 [1,0,0,0,1,0|2,0,0]=4 78 B12R2.23 O=C1CCC1C2=CC=CC=C2 CS-0051808 [1,0,0,0,1,0|2,0,0]=4 79 B12R2.115 NC1CC1C2=CC=CC=C2F CS-0162886 [0,0,0,0,2,0|0,1,1]=4 80 B14R2.21 O=C1COCC(C2=CC=CC=C2)N1 CS-W003896 [1,0,0,0,0,1|1,0,1]=4 81 B14R2.21 O=C1COC[C@@H](C2=CC=CC=C2)N1 CS-D1768 [1,0,0,0,0,1|1,0,1]=4 82 B14R2.21 O=C1COC[C@H](C2=CC=CC=C2)N1 CS-0062218 [1,0,0,0,0,1|1,0,1]=4 83 B14R2.68 O=C1CN[C@@H](C2=CC=CC=C2)CO1 CS-0016547 [1,0,0,0,0,1|1,0,1]=4 84 B14R2.68 O=C1CN[C@H](C2=CC=CC=C2)CO1 CS-0442401 [1,0,0,0,0,1|1,0,1]=4