0 B13R1.28 CCNCCNCC1=CC=CC=C1 AB2653 [1,0,0,0,0,0|3,0,0]=4 1 B13R1.44 CCCOC(=O)CC1=CC=CC=C1 A12538 [1,0,0,0,0,0|0,0,0]=1 2 B15R1.83 CCCCCOC(=O)CC1=CC=CC=C1 A12588 [0,1,0,0,0,0|0,0,0]=1 3 B15R1.809 CCOC(=O)CC(=O)CC1=CC=CC=C1 82566 [0,1,0,0,0,0|2,0,1]=4 4 B15R2.64 O=C(NC1=CC=CC=C1)N2CCCC2 W13530 [0,0,0,1,0,0|2,0,0]=3 5 B15R2.541 CN1CCNC(=O)[C@@H]1C2=CC=CC=C2 C75516 [0,0,0,1,0,0|2,0,0]=3 6 B13R1.24 CCCCNC(=O)C1=CC=CC=C1 I11490 [0,0,0,0,1,0|1,0,0]=2 7 B15R1.78 C#CCCNC(=O)OCC1=CC=CC=C1 68195 [0,0,0,0,0,1|1,0,2]=4 8 B15R1.78 C=CCCNC(=O)OCC1=CC=CC=C1 68198 [0,0,0,0,0,1|1,0,2]=4 9 B15R1.78 CCCCNC(=O)OCC1=CC=CC=C1 C72236 [0,0,0,0,0,1|1,0,0]=2 10 B15R1.78 CNCCNC(=O)OCC1=CC=CC=C1 57220 [0,0,0,0,0,1|2,0,0]=3 11 B12R1.8 C=CCCOCC1=CC=CC=C1 AC6656 [2,0,0,0,0,0|0,0,2]=4 12 B12R1.8 CCCCCCC1=CC=NC=C1 O11233 [2,0,0,0,0,0|1,0,1]=4 13 B12R1.8 CCCCCC[N+]1=CC=CC=C1 T72952 [2,0,0,0,0,0|1,0,1]=4 14 B12R1.8 CCCCCNC1=CC=CC=C1 T72196 [2,0,0,0,0,0|1,0,1]=4 15 B12R1.8 NCCCOCC1=CC=CC=C1 C73224 [2,0,0,0,0,0|1,0,0]=3 16 B12R1.32 CCOC(=O)CC1=NC=NC=C1 87620 [2,0,0,0,0,0|2,0,0]=4 17 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 C73314 [2,0,0,0,0,0|1,0,0]=3 18 B12R1.32 CCOC(=O)NC1=CC=NC=C1 F21286 [2,0,0,0,0,0|2,0,0]=4 19 B12R1.32 COCC(=O)OC1=CC=CC=C1 AC8183 [2,0,0,0,0,0|2,0,0]=4 20 B12R1.32 O=C(CCBr)NC1=CC=CC=C1 W16421 [2,0,0,0,0,0|2,0,0]=4 21 B14R1.156 CCCCC(=O)OCC1=CC=CC=C1 D81803 [1,1,0,0,0,0|2,0,0]=4 22 B14R1.19 CCCCCC(=O)C1=CC=C(C)C=C1 C73219 [0,1,0,0,1,0|1,0,0]=3 23 B14R1.19 CCCCCC(=O)C1=CC=C(Cl)C=C1 C76320 [0,1,0,0,1,0|1,0,0]=3 24 B14R1.163 O=C(OC[C@@H](O)CO)C1=CC=CC=C1 C74734 [0,1,0,0,1,0|1,0,0]=3 25 B16R1.608 CN(C)CCCC(=O)OCC1=CC=CC=C1 D84442 [0,1,0,0,0,1|2,0,0]=4 26 B16R1.688 O=C(CCCCCO)OCC1=CC=CC=C1 D93761 [0,1,0,0,0,1|1,0,0]=3 27 B16R1.688 O=C(NCCCCO)OCC1=CC=CC=C1 57622 [0,1,0,0,0,1|1,0,0]=3 28 B16R1.1343 C[C@H](CO)CNC(=O)OCC1=CC=CC=C1 AB10174 [0,1,0,0,0,1|2,0,0]=4 29 B16R1.1516 CN(CCCO)C(=O)OCC1=CC=CC=C1 AB6220 [0,1,0,0,0,1|2,0,0]=4 30 B14R2.6 C1=CC=C(C[C@H]2CCCCN2)C=C1 73429 [1,0,0,1,0,0|1,0,1]=4 31 B14R2.6 C1=CC=C(C[C@H]2CNCCO2)C=C1 98131 [1,0,0,1,0,0|1,0,1]=4 32 B14R2.517 NCC[C@@H]1C(=O)NC2=C1C=CC=C2 AR2408 [1,0,0,1,0,0|2,0,0]=4 33 B16R2.69 O=C1CCCCCN1CC2=CC=CC=C2 W12242 [0,0,0,1,0,1|1,0,0]=3 34 B16R2.296 N[C@H]1CC[C@H]1C(=O)OCC2=CC=CC=C2 P18424 [0,0,0,1,0,1|2,0,0]=4 35 B16R2.2238 O=C(OCC1=CC=CC=C1)N2CCCC2 31941 [0,0,0,1,0,1|1,0,0]=3 36 B16R2.2238 O=C(OCC1=CC=CC=C1)N2CCCN2 72636 [0,0,0,1,0,1|2,0,0]=4 37 B16R2.3193 O=C(N[C@@H]1C[C@@H]1O)OCC2=CC=CC=C2 C90587 [0,0,0,1,0,1|2,0,0]=4 38 B16R2.88 O=C(CC1=CC=CC=C1)N2CCNCC2 C75348 [0,1,0,1,0,0|1,0,0]=3 39 B16R2.88 O=C(NC1=CC=CC=C1)C2CCNCC2 H11462 [0,1,0,1,0,0|2,0,0]=4 40 B12R1.30 C#CCOC(=O)C1=CC=CC=C1 D76871 [1,0,0,0,1,0|0,0,2]=4 41 B12R1.30 N#CCCC(=O)C1=CC=CC=C1 T71019 [1,0,0,0,1,0|1,0,1]=4 42 B12R1.30 NCCNC(=O)C1=CC=CC=C1 F20112 [1,0,0,0,1,0|2,0,0]=4 43 B12R1.30 O=C(CCCO)C1=CN=CC=C1 W11994 [1,0,0,0,1,0|2,0,0]=4