0 B13R1.28 BrCCCCOCC1=CC=CC=C1 B54910 [1,0,0,0,0,0|3,0,0]=4 1 B13R1.28 OCCCCOCC1=CC=CC=C1 B54955 [1,0,0,0,0,0|3,0,0]=4 2 B13R1.44 C=CCOC(=O)OC1=CC=CC=C1 A52450 [1,0,0,0,0,0|1,0,2]=4 3 B15R1.809 CCOC(=O)CC(=O)CC1=CC=CC=C1 E55926 [0,1,0,0,0,0|2,0,1]=4 4 B15R2.64 O=C(NC1=CC=CC=C1)[C@@H]2CCCN2 P54697 [0,0,0,1,0,0|3,0,0]=4 5 B15R2.541 CN1CCNC(=O)[C@@H]1C2=CC=CC=C2 M54698 [0,0,0,1,0,0|2,0,0]=3 6 B15R2.2203 CCCCCC1=NC2=C(C=CC=C2)N1 P56019 [0,0,0,1,0,0|3,0,0]=4 7 B13R1.24 CCCCCC(=O)C1=CC=CC=C1 H56071 [0,0,0,0,1,0|1,0,0]=2 8 B15R1.78 CCCCNC(=O)OCC1=CC=CC=C1 B56142 [0,0,0,0,0,1|1,0,0]=2 9 B15R1.78 NCCCNC(=O)OCC1=CC=CC=C1 B36704 [0,0,0,0,0,1|2,0,0]=3 10 B15R1.78 NCCCNC(=O)OCC1=CC=CC=C1 B55522 [0,0,0,0,0,1|2,0,0]=3 11 B15R1.78 O=C(NCCCBr)OCC1=CC=CC=C1 B54739 [0,0,0,0,0,1|2,0,0]=3 12 B15R1.78 O=CCCNC(=O)OCC1=CC=CC=C1 B54651 [0,0,0,0,0,1|2,0,1]=4 13 B12R1.8 BrCCCOCC1=CC=CC=C1 B53016 [2,0,0,0,0,0|1,0,0]=3 14 B12R1.8 CCCCCCC1=CC=NC=C1 H54975 [2,0,0,0,0,0|1,0,1]=4 15 B12R1.8 NCCCNCC1=CC=CC=C1 B53178 [2,0,0,0,0,0|2,0,0]=4 16 B12R1.8 NCCCOCC1=CC=CC=C1 B53135 [2,0,0,0,0,0|1,0,0]=3 17 B12R1.8 O=CCCOCC1=CC=CC=C1 B1995 [2,0,0,0,0,0|1,0,1]=4 18 B12R1.8 OCCCNCC1=CC=CC=C1 B53134 [2,0,0,0,0,0|2,0,0]=4 19 B12R1.8 OCCCOCC1=CC=CC=C1 B53086 [2,0,0,0,0,0|1,0,0]=3 20 B12R1.32 CCCC(=O)CC1=CC=CC=C1 P54754 [2,0,0,0,0,0|0,0,0]=2 21 B12R1.32 CCOC(=O)CC1=CC=NC=C1 E50031 [2,0,0,0,0,0|1,0,0]=3 22 B12R1.32 CCOC(=O)CC1=CN=CC=C1 E50053 [2,0,0,0,0,0|1,0,0]=3 23 B12R1.32 CCOC(=O)CC1=NC=CC=C1 E22770 [2,0,0,0,0,0|1,0,0]=3 24 B12R1.32 CCOC(=O)CC1=NC=CC=N1 E14448 [2,0,0,0,0,0|2,0,0]=4 25 B12R1.32 CCOC(=O)CC1=NN=CC=C1 E18257 [2,0,0,0,0,0|2,0,0]=4 26 B12R1.32 CCOC(=O)C[N+]1=CC=CC=C1 E52267 [2,0,0,0,0,0|1,0,0]=3 27 B12R1.32 CCOC(=O)NC1=CC=NC=C1 E60949 [2,0,0,0,0,0|2,0,0]=4 28 B14R1.123 OCCCCCOCC1=CC=CC=C1 B68302 [1,1,0,0,0,0|2,0,0]=4 29 B14R1.743 COC(=O)CC(=O)CC1=CC=CC=C1 M54573 [1,1,0,0,0,0|1,0,1]=4 30 B14R1.19 CCCCCC(=O)C1=CC=C(C)C=C1 T57110 [0,1,0,0,1,0|1,0,0]=3 31 B14R1.19 CCCCCC(=O)C1=CC=C(Cl)C=C1 C56016 [0,1,0,0,1,0|1,0,0]=3 32 B16R1.688 O=C(NCCCCO)OCC1=CC=CC=C1 B63140 [0,1,0,0,0,1|1,0,0]=3 33 B16R1.560 COC(CNC(=O)CC1=CC=CC=C1)OC D56170 [0,2,0,0,0,0|2,0,0]=4 34 B14R2.3 CCCCN1C=NC2=C1C=CC=C2 B64988 [1,0,0,1,0,0|2,0,0]=4 35 B14R2.6 C1=CC=C(C[C@H]2CNCCO2)C=C1 B54854 [1,0,0,1,0,0|1,0,1]=4 36 B14R2.114 O=C(C1=CC=CC=C1)C2CCCC2 C55913 [0,0,0,1,1,0|1,0,0]=3 37 B14R2.114 O=C(C1=CC=CC=C1)[C@H]2CCNC2 P55460 [0,0,0,1,1,0|2,0,0]=4 38 B16R2.2238 O=C(OCC1=CC=CC=C1)N2CCCC2 C55976 [0,0,0,1,0,1|1,0,0]=3 39 B16R2.2238 O=C(OCC1=CC=CC=C1)[C@@H]2CCCN2 B68522 [0,0,0,1,0,1|2,0,0]=4 40 B16R2.44148 O=C(NC1CNC1)OCC2=CC=CC=C2 A10231 [0,0,0,1,0,1|2,0,0]=4 41 B16R2.44148 O=C(NC1CNC1)OCC2=CC=CC=C2 C0173 [0,0,0,1,0,1|2,0,0]=4 42 B16R2.88 O=C(CC1=CC=CC=C1)N2CCNCC2 P56610 [0,1,0,1,0,0|1,0,0]=3 43 B12R1.30 CNCCC(=O)C1=CC=CC=C1 M54151 [1,0,0,0,1,0|1,0,0]=3