0 B14R2.19 ClC1=NC(CC2=CC=CC=C2)=NS1 7H70-5-Y8 [0,0,0,0,0,0|2,1,1]=4 1 B14R2.19 NC1=CN(CC2=CC=CC=C2)N=C1 3H30-1-PH [0,0,0,0,0,0|4,0,0]=4 2 B14R2.19 NC1=NC=C(CC2=CC=CC=C2)S1 7H30-1-0Q [0,0,0,0,0,0|2,0,2]=4 3 B14R2.19 NC1=NN=C(CC2=CC=CC=C2)N1 3H30-1-9K [0,0,0,0,0,0|2,0,2]=4 4 B14R2.19 NC1=NN=C(CC2=CC=CC=C2)O1 4H30-1-BN [0,0,0,0,0,0|3,0,1]=4 5 B14R2.19 NC1CCN(CC2=CC=CC=C2)C1 3H30-1-AC [0,0,0,0,0,0|3,0,1]=4 6 B14R2.19 N[C@H]1CCN(CC2=CC=CC=C2)C1 3H30-1-S1 [0,0,0,0,0,0|3,0,1]=4 7 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CS1 8H48-1-S0 [0,0,0,0,0,0|1,1,1]=3 8 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CS1 8H48-1-R0 [0,0,0,0,0,0|1,1,1]=3 9 B14R2.19 S=C1N[C@@H](CC2=CC=CC=C2)CO1 8H67-1-S3 [0,0,0,0,0,0|1,0,1]=2 10 B14R2.19 S=C1N[C@H](CC2=CC=CC=C2)CO1 8H67-1-R2 [0,0,0,0,0,0|1,0,1]=2 11 B14R2.19 S=C1N[C@H](CC2=CC=CC=C2)CS1 7H67-1-R2 [0,0,0,0,0,0|1,1,1]=3 12 B13R2.64 C1=CC=C(CC2CCCN2)C=C1 3H31-1-T0 [1,0,0,0,0,0|1,0,2]=4 13 B13R2.64 C1=CC=C(CC2CCNC2)C=C1 3H31-1-T1 [1,0,0,0,0,0|2,0,1]=4 14 B13R2.64 C1=CC=C(CN2C=CC=N2)C=C1 3H32-1-HN [1,0,0,0,0,0|2,0,1]=4 15 B13R2.64 C1=CC=C(CN2CC=CC2)C=C1 3H32-1-8R [1,0,0,0,0,0|3,0,0]=4 16 B13R2.64 C1=CC=C(CN2CCOC2)C=C1 4H32-1-1G [1,0,0,0,0,0|2,0,1]=4 17 B13R2.64 C1=CC=C(C[C@@H]2CCCN2)C=C1 3H31-1-37 [1,0,0,0,0,0|1,0,2]=4 18 B13R2.64 C1=CC=C(C[C@H]2CCCN2)C=C1 3H32-1-1D [1,0,0,0,0,0|1,0,2]=4 19 B15R2.15 NCC1=NC(CC2=CC=CC=C2)=NO1 4H30-1-CB [0,1,0,0,0,0|1,0,1]=3 20 B15R2.15 NCC1=NN(CC2=CC=CC=C2)C=C1 3H30-5-AW [0,1,0,0,0,0|2,0,1]=4 21 B15R2.98 NC1=NC(NC2=CC=C(Cl)C=C2)N=N1 3H31-5-75 [0,1,0,0,0,0|3,0,0]=4 22 B15R2.297 O=C1CC(C(=O)C2=CC=CC=C2)CO1 2H25-1-26 [0,1,0,0,0,0|2,0,1]=4 23 B15R2.305 NC1=NN(CC2=CC=CC=C2F)C=C1 3H30-7-85 [0,1,0,0,0,0|2,0,1]=4 24 B15R2.325 O=C1NC(CC2=CC=CC=C2)C(=O)O1 4H56-1-06T [0,1,0,0,0,0|1,0,2]=4 25 B15R2.4086 CC1(CC2=CC=CC=C2)CCC(=O)O1 2H25-1-38 [0,1,0,0,0,0|3,0,0]=4 26 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 2721-1-70 [0,0,1,0,0,0|3,0,0]=4 27 B13R1.348 CC(=O)OC(C)CC1=CC=CC=C1 2623-1-4U [0,0,1,0,0,0|2,0,1]=4 28 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 4632-1-0B [0,0,1,0,0,0|3,0,0]=4 29 B13R1.718 COC(=O)CCCC1=CC=CC=C1 2623-1-0S [0,0,1,0,0,0|2,0,0]=3 30 B13R1.718 COC(=O)CCNC1=CC=CC=C1 4658-1-77 [0,0,1,0,0,0|3,0,0]=4 31 B13R1.718 COC(=O)COCC1=CC=CC=C1 2623-1-2U [0,0,1,0,0,0|3,0,0]=4 32 B13R2.10 CC1=NC(C2=CC=CC=C2)=NO1 4H44-1-17 [0,0,0,0,1,0|2,0,1]=4 33 B13R2.10 ClC1=NC(C2=CC=CC=C2)=CO1 4H47-5-0E [0,0,0,0,1,0|1,0,2]=4 34 B13R2.10 ClC1=NC(C2=CC=CC=C2)=NO1 4H56-5-BL [0,0,0,0,1,0|2,0,1]=4 35 B13R2.10 NC1=NC(C2=CC=CC=C2)=CN1 3H30-1-GL [0,0,0,0,1,0|1,0,2]=4 36 B13R2.10 NC1=NC(C2=CC=CC=C2)=CS1 7H30-1-03 [0,0,0,0,1,0|0,1,2]=4 37 B13R2.10 NC1=NN(C2=CC=CC=C2)C=C1 3H30-1-PK [0,0,0,0,1,0|2,0,1]=4 38 B13R2.10 NC1=NOC(C2=CC=CC=C2)=N1 4H30-1-BJ [0,0,0,0,1,0|2,0,1]=4 39 B13R2.10 O=C1CCC(C2=CC=CC=C2)O1 2H25-1-2C [0,0,0,0,1,0|3,0,0]=4 40 B13R2.10 OC1=NC(C2=CC=CC=C2)=CO1 4H01-1-9P [0,0,0,0,1,0|1,0,2]=4 41 B13R2.10 OC1=NC(C2=CC=CC=C2)=NO1 4H56-1-919 [0,0,0,0,1,0|2,0,1]=4 42 B13R2.10 S=C1N[C@@H](C2=CC=CC=C2)CO1 8H67-1-S2 [0,0,0,0,1,0|1,0,1]=3 43 B13R2.10 S=C1N[C@@H](C2=CC=CC=C2)CS1 7H67-1-S2 [0,0,0,0,1,0|1,1,1]=4 44 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CO1 8H67-1-R3 [0,0,0,0,1,0|1,0,1]=3 45 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CS1 7H67-1-R1 [0,0,0,0,1,0|1,1,1]=4 46 B13R2.31 NC1CN(CC2=CC=CC=C2)C1 3H30-5-5L [0,0,0,0,1,0|2,0,1]=4 47 B13R2.31 NC1CN(CC2=CC=CC=C2)C1 3H32-1-BG [0,0,0,0,1,0|2,0,1]=4 48 B15R2.283 O=C1C=C(NCC2=CC=CC=C2)CO1 4H31-1-0T [0,0,0,0,0,1|2,0,1]=4 49 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 4656-1-S00 [1,0,1,0,0,0|0,0,2]=4 50 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 4656-1-SP [1,0,1,0,0,0|0,0,2]=4 51 B12R1.252 CC(=O)NCCC1=CC=CC=C1 4748-1-31 [1,0,1,0,0,0|1,0,1]=4 52 B12R1.252 N=C(N)NCCC1=CC=CC=C1 3641-5-00 [1,0,1,0,0,0|1,0,1]=4 53 B14R1.13 COC(=O)CCCC1=CC=C(N)C=C1 4630-1-1A [0,1,1,0,0,0|2,0,0]=4 54 B14R1.520 CCOC(=O)NCCC1=CC=CC=C1 4656-1-9Q [0,1,1,0,0,0|1,0,1]=4 55 B14R2.8 NCC1=NC(C2=CC=CC=C2)=NO1 4H30-1-4B [0,1,0,0,1,0|1,0,1]=4 56 B14R2.8 NCC1=NC(C2=CC=CC=C2)=NO1 4H56-5-BA [0,1,0,0,1,0|1,0,1]=4 57 B14R2.20 NC1=NCC(C2=CC=C(Br)C=C2)O1 4H30-9-06 [0,1,0,0,1,0|2,0,0]=4 58 B14R2.21 O=C1CC(C2=CC=CC=C2)CCO1 2H25-1-77 [0,0,1,1,0,0|2,0,0]=4 59 B14R3.630 O=C1N[C@H]2C3=CC=CC=C3C[C@@H]12 4H48-1-GZ [0,0,0,1,1,0|2,0,0]=4 60 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O 2621-1-W4 [0,0,1,0,1,0|2,0,0]=4 61 B12R1.43 C[C@H](OC1=CC=CC=C1)C(=O)O 2621-1-S0 [0,0,1,0,1,0|2,0,0]=4 62 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 4648-5-R0 [0,0,1,0,1,0|1,0,1]=4 63 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O 4657-1-1E [0,0,1,0,1,0|2,0,0]=4 64 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 4757-1-S0 [0,0,1,0,1,0|2,0,0]=4 65 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 2629-1-2L [0,0,1,0,1,0|2,0,0]=4 66 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 2621-9-S1 [0,0,1,0,1,0|2,0,0]=4 67 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 2629-1-S2 [0,0,1,0,1,0|2,0,0]=4 68 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 2629-1-R2 [0,0,1,0,1,0|2,0,0]=4 69 B12R1.27 COC(=O)CCC1=CC=NC=C1 4H23-1-HZ [0,0,1,0,1,0|2,0,0]=4 70 B12R1.27 COC(=O)CSC1=CC=CC=C1 6666-1-25 [0,0,1,0,1,0|2,0,0]=4 71 B12R2.2 C1=CC=C(C2=COC=N2)C=C1 4H56-1-06D [1,0,0,0,1,0|0,0,2]=4 72 B12R2.2058 C1=CC=C(CC2CNC2)C=C1 3H31-1-5Z [1,0,0,0,1,0|1,0,1]=4 73 B12R2.22 O=C1CC(C2=CC=CC=C2)N1 4H48-1-GG [0,0,0,0,2,0|1,0,1]=4 74 B14R2.101 C1=CC=C(COC2CC=CC2)C=C1 2607-1-1J [1,0,0,0,0,1|2,0,0]=4 75 B16R2.2832 O=C1OCC(COCC2=CC=CC=C2)O1 2H28-1-02 [0,0,0,0,0,2|2,0,0]=4