0 B14R2.19 NC1=NN(CC2=CC=CC=C2)C=C1 32089 [0,0,0,0,0,0|2,0,1]=3 1 B14R2.19 NC1CCN(CC2=CC=CC=C2)C1 11196 [0,0,0,0,0,0|3,0,1]=4 2 B14R2.19 NC1CCN(CC2=CC=CC=C2)C1 9198 [0,0,0,0,0,0|3,0,1]=4 3 B14R2.19 N[C@@H]1CCN(CC2=CC=CC=C2)C1 11162 [0,0,0,0,0,0|3,0,1]=4 4 B14R2.19 N[C@@H]1CCN(CC2=CC=CC=C2)C1 6383 [0,0,0,0,0,0|3,0,1]=4 5 B14R2.19 N[C@H]1CCN(CC2=CC=CC=C2)C1 11160 [0,0,0,0,0,0|3,0,1]=4 6 B14R2.19 N[C@H]1CCN(CC2=CC=CC=C2)C1 6382 [0,0,0,0,0,0|3,0,1]=4 7 B14R2.19 O=C1CCN(CC2=CC=CC=C2)C1 10007 [0,0,0,0,0,0|4,0,0]=4 8 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 6915 [0,0,0,0,0,0|1,0,1]=2 9 B14R2.19 O=C1N[C@H](CC2=CC=CC=C2)CO1 6916 [0,0,0,0,0,0|1,0,1]=2 10 B14R2.19 S=C1N[C@H](CC2=CC=CC=C2)CS1 35899 [0,0,0,0,0,0|1,1,1]=3 11 B15R2.98 NC1=CC=C(C[C@H]2COC(=O)N2)C=C1 7548 [0,1,0,0,0,0|1,0,1]=3 12 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 24324 [0,0,1,0,0,0|3,0,0]=4 13 B13R1.348 N[C@H](CC(=O)O)CC1=CC=CC=C1 13855 [0,0,1,0,0,0|3,0,0]=4 14 B13R2.10 NC1=CC(C2=CC=CC=C2)=NO1 15538 [0,0,0,0,1,0|2,0,1]=4 15 B13R2.10 NC1=NC(C2=CC=CC=C2)=CO1 27480 [0,0,0,0,1,0|0,0,2]=3 16 B13R2.10 NC1=NN(C2=CC=CC=C2)C=C1 22709 [0,0,0,0,1,0|2,0,1]=4 17 B13R2.10 NC1=NN(C2=CC=CC=C2)CC1 22707 [0,0,0,0,1,0|2,0,0]=3 18 B13R2.10 O=C1N[C@@H](c2ccccc2)CO1 6076 [0,0,0,0,1,0|1,0,1]=3 19 B13R2.10 O=C1N[C@H](c2ccccc2)CO1 6077 [0,0,0,0,1,0|1,0,1]=3 20 B13R2.31 NC1CN(CC2=CC=CC=C2)C1 20106 [0,0,0,0,1,0|2,0,1]=4 21 B15R2.31 O=C1CN(CC2=CC=CC=C2)CCO1 27690 [0,0,0,0,0,1|3,0,0]=4 22 B12R1.8 NCCCCCC1=CC=CC=C1 12508 [1,0,1,0,0,0|1,0,1]=4 23 B12R1.118 OCC(CO)CC1=CC=CC=C1 35021 [1,0,1,0,0,0|1,0,1]=4 24 B12R1.252 CC(=O)CCCC1=CC=CC=C1 23541 [1,0,1,0,0,0|2,0,0]=4 25 B12R1.252 CC(=O)NCCC1=CC=CC=C1 18566 [1,0,1,0,0,0|1,0,1]=4 26 B14R1.13 COC(=O)CCCC1=CC=C(N)C=C1 31807 [0,1,1,0,0,0|2,0,0]=4 27 B14R1.13 COC(=O)CCCC1=CC=C(N)C=C1 31821 [0,1,1,0,0,0|2,0,0]=4 28 B14R2.768 O=C(O)CC1CC2=CC=CC=C2C1 16311 [0,0,1,1,0,0|2,0,0]=4 29 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O 16952 [0,0,1,0,1,0|2,0,0]=4 30 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 20603 [0,0,1,0,1,0|1,0,1]=4 31 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 19011 [0,0,1,0,1,0|1,0,1]=4 32 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O 2375 [0,0,1,0,1,0|2,0,0]=4 33 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 11004 [0,0,1,0,1,0|2,0,0]=4 34 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O 18595 [0,0,1,0,1,0|2,0,0]=4 35 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O 10975 [0,0,1,0,1,0|2,0,0]=4 36 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 10725 [0,0,1,0,1,0|2,0,0]=4 37 B12R1.43 O=C(O)[C@@H](O)Cc1ccccc1 6413 [0,0,1,0,1,0|2,0,0]=4 38 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 6414 [0,0,1,0,1,0|2,0,0]=4 39 B12R1.27 COC(=O)CCC1=CC=CC=C1 18417 [0,0,1,0,1,0|1,0,0]=3 40 B12R1.27 COC(=O)COC1=CC=CC=C1 12489 [0,0,1,0,1,0|2,0,0]=4 41 B12R1.27 COC(=O)CSC1=CC=CC=C1 10851 [0,0,1,0,1,0|2,0,0]=4