0 B10R0.4 CCCCCCCCC(=N)N N13879 [0,0,0,0,0,0|2,0,0]=2 1 B10R0.4 CCCCCCCNC(N)=S H8001 [0,0,0,0,0,0|2,1,0]=3 2 B10R0.4 O=C(O)CCCCCCCBr B3812 [0,0,0,0,0,0|1,0,0]=1 3 B9R0.2 CCCCCCCC(=N)N O13890 [1,0,0,0,0,0|2,0,0]=3 4 B9R0.45 OCCCCCCCCBr B18489 [1,0,0,0,0,0|1,0,1]=3 5 B11R0.40 CCCCCCCCC(O)CN A13572 [0,1,0,0,0,0|1,0,1]=3 6 B11R0.148 O=C(O)CCCCCCCCBr B18462 [0,1,0,0,0,0|0,0,0]=1 7 B11R1.86 CC1CNCCC1CC(=O)O M4469 [0,0,0,1,0,0|1,0,0]=2 8 B11R1.91 CC(=O)NCC1CCNCC1 P12461 [0,0,0,1,0,0|3,0,0]=4 9 B11R1.91 N1CCC(CCC(=O)O)CC1 P11831 [0,0,0,1,0,0|1,0,0]=2 10 B11R1.91 N=C(N)CCN1CCCCC1 P13129 [0,0,0,1,0,0|3,0,0]=4 11 B11R1.91 O=C(O)CCC1CCCCN1 P14397 [0,0,0,1,0,0|1,0,0]=2 12 B11R1.91 O=C(O)CCC1CCC[NH2+]C1 P12684 [0,0,0,1,0,0|1,0,0]=2 13 B11R1.91 O=C(O)CCN1CCCCC1 P17611 [0,0,0,1,0,0|1,0,0]=2 14 B11R1.91 O=C(O)CCN1CCNCC1 P16653 [0,0,0,1,0,0|2,0,0]=3 15 B11R1.143 NC1CCCCCC1C(=O)O A12931 [0,0,0,1,0,0|1,0,0]=2 16 B11R1.172 N=C(N)CCCN1CCCC1 P13132 [0,0,0,1,0,0|3,0,0]=4 17 B11R1.193 C=CCN1CCC[C@H]1C(=O)O P17218 [0,0,0,1,0,0|1,0,2]=4 18 B11R1.193 O=C(O)C1CNCC1CCO H14027 [0,0,0,1,0,0|2,0,0]=3 19 B11R1.742 N=C(N)CN1CCCCCC1 A12894 [0,0,0,1,0,0|3,0,0]=4 20 B8R0.7 CCCCCCC(=N)N H13000 [2,0,0,0,0,0|2,0,0]=4 21 B8R0.7 CCCCCC[C@H](C)O O2182 [2,0,0,0,0,0|1,0,1]=4 22 B10R0.75 CCCCSC[C@@H](N)C(=O)O A8104 [1,1,0,0,0,0|1,0,0]=3 23 B10R0.75 CCCCSC[C@H](N)C(=O)O A8103 [1,1,0,0,0,0|1,0,0]=3 24 B10R0.71 CCCCCCCCN=C=S O7878 [1,1,0,0,0,0|0,1,1]=4 25 B10R0.71 OCCCCCCCCCBr B12939 [1,1,0,0,0,0|0,0,1]=3 26 B12R0.248 CCCCCCCCOC(=O)CN G10061 [0,2,0,0,0,0|1,0,0]=3 27 B12R0.251 CCCCCCCCC(O)C(=O)O H15054 [0,2,0,0,0,0|0,0,0]=2 28 B12R0.234 C(CCCCCCCO)=CC(=O)O Q3294 [0,2,0,0,0,0|0,0,1]=3 29 B12R0.234 C(CCCCCCCO)=CC(=O)O Q3294 [0,2,0,0,0,0|0,0,1]=3 30 B12R0.234 O=C(O)CCCCCCCCCBr B5460 [0,2,0,0,0,0|0,0,0]=2 31 B12R0.268 O=C(O)CCCCCCCC(=O)O A1176 [0,2,0,0,0,0|0,0,1]=3 32 B12R0.268 O=C(O)CCCNCCCC(=O)O B12923 [0,2,0,0,0,0|1,0,1]=4 33 B10R1.18 N=C(N)CC1CCCCC1 C16843 [1,0,0,1,0,0|2,0,0]=4 34 B10R1.18 O=C(O)CC1CCCCN1 P14979 [1,0,0,1,0,0|1,0,0]=3 35 B10R1.18 O=C(O)CC1CCCNC1 P15959 [1,0,0,1,0,0|1,0,0]=3 36 B10R1.18 O=C(O)CC1CCNCC1 P4467 [1,0,0,1,0,0|1,0,0]=3 37 B10R1.18 O=C(O)CC1CNCCO1 M13320 [1,0,0,1,0,0|2,0,0]=4 38 B10R1.18 O=C(O)CN1CCNCC1 P16652 [1,0,0,1,0,0|2,0,0]=4 39 B10R1.39 O=C(O)C1CNCC1CO H14025 [1,0,0,1,0,0|2,0,0]=4 40 B10R1.61 CC1CNCCC1C(=O)O M12883 [1,0,0,1,0,0|1,0,0]=3 41 B10R1.61 CN1CCNCC1C(=O)O M19106 [1,0,0,1,0,0|2,0,0]=4 42 B10R1.61 CN1CCNCC1C(=O)O M19106 [1,0,0,1,0,0|2,0,0]=4 43 B10R1.61 NC1CCCCC1C(=O)O A12769 [1,0,0,1,0,0|1,0,0]=3 44 B10R1.64 CC1CCCC1CC(=O)O M13870 [1,0,0,1,0,0|0,0,0]=2 45 B10R1.64 NC1CCCC1CC(=O)O A12909 [1,0,0,1,0,0|1,0,0]=3 46 B10R1.66 O=C(Cl)CCC1CCCC1 C0248 [1,0,0,1,0,0|1,0,0]=3 47 B10R1.348 N=C(N)C1CCCCCC1 C13745 [1,0,0,1,0,0|2,0,0]=4 48 B10R1.17 OCCCC1CCCCN1 P15957 [1,0,0,1,0,0|1,0,1]=4 49 B10R1.17 OCCCC1CCCNC1 P15958 [1,0,0,1,0,0|1,0,1]=4 50 B10R1.19 NC1CCCCCC1CO A13347 [1,0,0,1,0,0|1,0,1]=4 51 B10R1.29 CCCCN1CCCC1=O B18734 [1,0,0,1,0,0|1,0,0]=3 52 B12R1.107 NC(CC(=O)O)C1CCCCC1 A15672 [0,1,0,1,0,0|0,0,0]=2 53 B12R1.107 NC(CC(=O)O)C1CCCOC1 A15375 [0,1,0,1,0,0|1,0,0]=3 54 B12R1.107 NC(CC(=O)O)C1CCOCC1 A15283 [0,1,0,1,0,0|1,0,0]=3 55 B12R1.392 CC(O)CN1CCC[C@H]1C(=O)O H17151 [0,1,0,1,0,0|1,0,0]=3 56 B12R1.1 CCCCCC1CCC(=O)CC1 P7779 [0,1,0,1,0,0|1,0,0]=3 57 B12R1.27 N\C(CCN1CCCCC1)=N/O H13128 [0,1,0,1,0,0|2,0,0]=4 58 B12R1.365 COC(=O)C1CCCCCC1N M13247 [0,1,0,1,0,0|1,0,0]=3 59 B12R1.477 N\C(CCCN1CCCC1)=N\O H13130 [0,1,0,1,0,0|2,0,0]=4 60 B12R1.43 N[C@@H](CC1CCCCC1)C(=O)O C7307 [0,1,0,1,0,0|0,0,0]=2 61 B12R1.1385 NC1(C(=O)O)CCCCCCC1 A12897 [0,1,0,1,0,0|0,0,0]=2 62 B12R1.125 CC1CCCCN1CCC(=N)N M16893 [0,1,0,1,0,0|2,0,0]=4 63 B12R1.252 O=C(O)CCCC1CCNCC1 P17612 [0,1,0,1,0,0|0,0,0]=2 64 B12R1.255 O=C(O)CCCC[C@@H]1CCSS1 L6253 [0,1,0,1,0,0|1,0,0]=3 65 B12R1.255 [C@@H]1(CCCCC(=O)O)CCSS1 L4927 [0,1,0,1,0,0|1,0,0]=3 66 B12R2.2918 O=C1CC2(CCCCC2)CN1 P1411 [0,0,0,2,0,0|2,0,0]=4 67 B12R2.252 [C@H]12CCC[C@H]1NC(C(=O)O)C2 O8660 [0,0,0,2,0,0|1,0,0]=3 68 B12R2.252 [C@H]12CCC[C@H]1N[C@@H](C(=O)O)C2 E2254 [0,0,0,2,0,0|1,0,0]=3