0 B5R0.1 CC(C)N=C=O BCP15287 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.1 CC(OCCl)=O BCP16170 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 CN(CCBr)C BCP20000 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.1 C[C@@H](N)CCO BCP01279 [0,0,0,0,0,0|2,0,0]=2 4 B5R0.1 C[C@@H](N)COC BCP19342 [0,0,0,0,0,0|3,0,0]=3 5 B5R0.1 NNCC(C)C BCP06610 [0,0,0,0,0,0|1,0,0]=1 6 B5R0.1 O=C(Cl)CCBr BCP20557 [0,0,0,0,0,0|3,0,1]=4 7 B5R0.1 O=C(Cl)CCCl BCP09962 [0,0,0,0,0,0|3,0,1]=4 8 B5R0.1 OC(CCO)=O BCP05902 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.1 OC(CCS)=O BCP16636 [0,0,0,0,0,0|3,0,1]=4 10 B4R0.1 CC(C)[Mg]Cl BCP10965 [1,0,0,0,0,0|2,0,0]=3 11 B4R0.1 CC(CBr)=O BCP06577 [1,0,0,0,0,0|2,0,1]=4 12 B4R0.1 CC(Cl)C#N BCP10983 [1,0,0,0,0,0|1,0,2]=4 13 B4R0.1 CC(O)C#C BCP05896 [1,0,0,0,0,0|1,0,2]=4 14 B4R0.1 CC(O)CN BCP08083 [1,0,0,0,0,0|1,0,0]=2 15 B4R0.1 CN(C)NC BCP16365 [1,0,0,0,0,0|2,0,0]=3 16 B4R0.1 C[C@@H](O)C#C BCP15480 [1,0,0,0,0,0|1,0,2]=4 17 B4R0.1 C[C@@H](O)CC BCP06774 [1,0,0,0,0,0|1,0,0]=2 18 B4R0.1 C[C@H](N)CN BCP05857 [1,0,0,0,0,0|1,0,0]=2 19 B4R0.1 C[C](N)CO BCP13388 [1,0,0,0,0,0|2,0,1]=4 20 B4R0.1 FC(F)CO BCP05861 [1,0,0,0,0,0|3,0,0]=4 21 B4R0.1 NC(CN)=N BCP12671 [1,0,0,0,0,0|2,0,1]=4 22 B4R0.2 C#CCCN BCP19829 [1,0,0,0,0,0|0,0,2]=3 23 B4R0.2 C=CCON BCP19009 [1,0,0,0,0,0|1,0,2]=4 24 B4R0.2 CC#CCBr BCP17711 [1,0,0,0,0,0|1,0,2]=4 25 B4R0.2 CC#CCO BCP07121 [1,0,0,0,0,0|1,0,2]=4 26 B4R0.2 CCN=C=S BCP05940 [1,0,0,0,0,0|2,0,1]=4 27 B4R0.2 CSCCN BCP16561 [1,0,0,0,0,0|1,0,0]=2 28 B4R0.2 ClCCCBr BCP16557 [1,0,0,0,0,0|2,0,0]=3 29 B4R0.2 NCCOC BCP15361 [1,0,0,0,0,0|1,0,0]=2 30 B4R0.2 NOCCO BCP11232 [1,0,0,0,0,0|2,0,0]=3 31 B6R0.1 O=C(OC)CCO BCP16887 [0,1,0,0,0,0|2,0,1]=4 32 B6R0.1 O=C(OC)CCS BCP16637 [0,1,0,0,0,0|2,0,1]=4 33 B6R0.1 OC[C@@H](C)COC BCP11697 [0,1,0,0,0,0|2,0,0]=3 34 B6R0.2 CC(C)CC(N)=O BCP05941 [0,1,0,0,0,0|0,0,1]=2 35 B6R0.2 CC(C)NC(C)=O BCP19527 [0,1,0,0,0,0|2,0,1]=4 36 B6R0.2 CC(CC(N)=O)=O BCP19964 [0,1,0,0,0,0|1,0,2]=4 37 B6R0.2 C[C@@H](N)CC(O)=O BCP11586 [0,1,0,0,0,0|2,0,1]=4 38 B6R0.2 C[C@@H](N)CC(O)=O BCP16924 [0,1,0,0,0,0|2,0,1]=4 39 B6R0.2 OB(CC(C)C)O BCP12813 [0,1,0,0,0,0|2,0,0]=3 40 B6R0.4 BrCCCN(C)C BCP18662 [0,1,0,0,0,0|2,0,0]=3 41 B6R0.4 CC(C)CCCO BCP06801 [0,1,0,0,0,0|1,0,0]=2 42 B6R0.5 CS(CCN)(=O)=O BCP09595 [0,1,0,0,0,0|2,0,0]=3 43 B6R0.5 C[N+](C)(C)CC=C BCP14578 [0,1,0,0,0,0|2,0,1]=4 44 B6R0.5 FC(F)(F)CCI BCP08523 [0,1,0,0,0,0|3,0,0]=4 45 B6R0.5 NC(CCO)(C)C BCP10686 [0,1,0,0,0,0|1,0,0]=2 46 B6R0.5 NCCS(=O)(=O)C BCP04141 [0,1,0,0,0,0|2,0,0]=3 47 B6R1.2 CC1CCCO1 BCP16203 [0,0,0,1,0,0|2,0,0]=3 48 B6R1.2 F[C@@H]1CCNC1 BCP14098 [0,0,0,1,0,0|1,0,0]=2 49 B6R1.2 IC1COCC1 BCP14190 [0,0,0,1,0,0|2,0,0]=3 50 B6R1.2 N[C@@H]1COCC1 BCP06180 [0,0,0,1,0,0|2,0,0]=3 51 B6R1.2 O=C1COCC1 BCP14176 [0,0,0,1,0,0|2,0,1]=4 52 B6R1.2 OC1COCC1 BCP13266 [0,0,0,1,0,0|2,0,0]=3 53 B6R1.2 O[C@@H]1CNCC1 BCP14826 [0,0,0,1,0,0|1,0,0]=2 54 B6R1.2 O[C@@H]1CNCC1 BCP15469 [0,0,0,1,0,0|1,0,0]=2 55 B6R1.2 O[C]1COCC1 BCP04605 [0,0,0,1,0,0|2,0,1]=4 56 B6R1.5 N[C]1C[C](O)C1 BCP16510 [0,0,0,1,0,0|1,0,2]=4 57 B6R1.5 OC1CN(C)C1 BCP20498 [0,0,0,1,0,0|2,0,0]=3 58 B6R1.10 NC1(C)CCC1 BCP13870 [0,0,0,1,0,0|2,0,0]=3 59 B6R1.11 N[C](C1CC1)C BCP14967 [0,0,0,1,0,0|2,0,1]=4 60 B3R0.1 CCCN BCP18818 [2,0,0,0,0,0|0,0,0]=2 61 B3R0.1 COCCl BCP08223 [2,0,0,0,0,0|2,0,0]=4 62 B3R0.1 NCCS BCP15015 [2,0,0,0,0,0|1,0,0]=3 63 B3R0.1 NCCS BCP15033 [2,0,0,0,0,0|1,0,0]=3 64 B3R0.2 CC(Br)Cl BCP14483 [2,0,0,0,0,0|2,0,0]=4 65 B5R0.3 C(C(CN)O)N BCP18704 [1,1,0,0,0,0|1,0,0]=3 66 B5R0.3 C(C(CO)N)O BCP04588 [1,1,0,0,0,0|2,0,0]=4 67 B5R0.3 CC[C](N)CO BCP16938 [1,1,0,0,0,0|1,0,1]=4 68 B5R0.3 NCC(CO)O BCP18703 [1,1,0,0,0,0|1,0,0]=3 69 B5R0.3 O=C(CBr)CC BCP08723 [1,1,0,0,0,0|1,0,1]=4 70 B5R0.3 O[C](CCl)CN BCP08810 [1,1,0,0,0,0|1,0,1]=4 71 B5R0.3 SC(CS)CO BCP18145 [1,1,0,0,0,0|2,0,0]=4 72 B5R0.4 CC(C)(C)CN BCP11254 [1,1,0,0,0,0|0,0,0]=2 73 B5R0.4 CC(C)(S)CN BCP10543 [1,1,0,0,0,0|0,0,0]=2 74 B5R0.4 CC(O)(C)C#C BCP18661 [1,1,0,0,0,0|0,0,2]=4 75 B5R0.4 CC(O)(C)CN BCP16117 [1,1,0,0,0,0|0,0,0]=2 76 B5R0.4 FC(CO)(C)F BCP15466 [1,1,0,0,0,0|2,0,0]=4 77 B5R0.4 FC(F)(F)CN BCP14597 [1,1,0,0,0,0|2,0,0]=4 78 B5R0.4 NOC(C)(C)C BCP10169 [1,1,0,0,0,0|1,0,0]=3 79 B5R0.5 CC(C)C(C)O BCP29487 [1,1,0,0,0,0|0,0,0]=2 80 B5R0.5 CC(C)C(N)=N BCP07536 [1,1,0,0,0,0|0,0,1]=3 81 B5R0.5 C[C@@H](N)C(C)C BCP06945 [1,1,0,0,0,0|0,0,0]=2 82 B5R0.2 ClCCOCC BCP15316 [1,1,0,0,0,0|1,0,0]=3 83 B5R0.2 NCCCCO BCP18612 [1,1,0,0,0,0|0,0,0]=2 84 B7R0.2 CC(CN(C)C)CCl BCP09620 [0,2,0,0,0,0|2,0,0]=4 85 B7R0.2 CC(N)CC(C)CC BCP07039 [0,2,0,0,0,0|0,0,0]=2 86 B7R0.2 CC(N)CC(C)CC BCP18792 [0,2,0,0,0,0|0,0,0]=2 87 B7R0.5 O=C(O)[C@@H](CCN)N BCP11565 [0,2,0,0,0,0|1,0,1]=4 88 B7R0.10 NCC(C)[C@@H](CO)N BCP14692 [0,2,0,0,0,0|1,0,0]=3 89 B7R0.12 CCN(CC)CCS BCP11871 [0,2,0,0,0,0|2,0,0]=4 90 B7R0.12 COC(OC)CSC BCP20569 [0,2,0,0,0,0|2,0,0]=4 91 B7R0.9 CC(C)CS(=O)(Cl)=O BCP07920 [0,2,0,0,0,0|2,0,0]=4 92 B7R0.16 CC(C)[C@@H](N)C(O)=O BCP10545 [0,2,0,0,0,0|1,0,1]=4 93 B7R0.14 CC(C)(C)C(CBr)=O BCP19288 [0,2,0,0,0,0|1,0,1]=4 94 B5R1.2 FC1CNC1 BCP14095 [1,0,0,1,0,0|1,0,0]=3 95 B5R1.2 IC1COC1 BCP08336 [1,0,0,1,0,0|2,0,0]=4 96 B5R1.2 NC1COC1 BCP07405 [1,0,0,1,0,0|2,0,0]=4 97 B5R1.2 NC1COC1 BCP10369 [1,0,0,1,0,0|2,0,0]=4 98 B5R1.2 O=C1CNC1 BCP10186 [1,0,0,1,0,0|1,0,1]=4 99 B5R1.3 C1C(O1)CCl BCP13411 [1,0,0,1,0,0|2,0,0]=4 100 B5R1.3 CNC1CC1 BCP29185 [1,0,0,1,0,0|1,0,0]=3 101 B5R1.3 ClC[C@@H]1OC1 BCP08874 [1,0,0,1,0,0|2,0,0]=4 102 B5R1.3 NNC1CC1 BCP28107 [1,0,0,1,0,0|1,0,0]=3 103 B5R1.1 C1=CCNC1 BCP09734 [1,0,0,1,0,0|0,0,2]=4 104 B7R1.1 CCN1CCCC1 BCP07071 [0,1,0,1,0,0|2,0,0]=4 105 B7R1.1 CNC1COCC1 BCP11597 [0,1,0,1,0,0|1,0,0]=3 106 B7R1.1 O=CC1CCCC1 BCP12309 [0,1,0,1,0,0|1,0,1]=4 107 B7R1.1 OCC1CCCC1 BCP29184 [0,1,0,1,0,0|1,0,0]=3 108 B7R1.1 OC[C@@H]1CNCC1 BCP20710 [0,1,0,1,0,0|0,0,0]=2 109 B7R1.1 OC[C]1CNCC1 BCP20711 [0,1,0,1,0,0|0,0,1]=3 110 B7R1.2 O=C1NCC(O)C1 BCP07569 [0,1,0,1,0,0|1,0,1]=4 111 B7R1.3 C=C1CCNCC1 BCP15107 [0,1,0,1,0,0|0,0,2]=4 112 B7R1.3 CN1CCNCC1 BCP16944 [0,1,0,1,0,0|1,0,0]=3 113 B7R1.3 C[C@@H]1CNCCN1 BCP19769 [0,1,0,1,0,0|0,0,0]=2 114 B7R1.3 C[C@@H]1CNCCO1 BCP07192 [0,1,0,1,0,0|0,0,0]=2 115 B7R1.3 C[C@@H]1NCCOC1 BCP05272 [0,1,0,1,0,0|1,0,0]=3 116 B7R1.3 C[C@@H]1NCCOC1 BCP06972 [0,1,0,1,0,0|1,0,0]=3 117 B7R1.3 C[C]1CNCCO1 BCP16612 [0,1,0,1,0,0|0,0,1]=3 118 B7R1.3 IC1CCOCC1 BCP11458 [0,1,0,1,0,0|2,0,0]=4 119 B7R1.3 NC1CCNCC1 BCP01546 [0,1,0,1,0,0|1,0,0]=3 120 B7R1.3 NC1CNCCC1 BCP10242 [0,1,0,1,0,0|1,0,0]=3 121 B7R1.3 N[C]1CNCCC1 BCP08366 [0,1,0,1,0,0|1,0,1]=4 122 B7R1.3 O=C1CCNCC1 BCP15157 [0,1,0,1,0,0|1,0,1]=4 123 B7R1.3 OC1CCCNC1 BCP05290 [0,1,0,1,0,0|1,0,0]=3 124 B7R1.3 OC1CCOCC1 BCP04889 [0,1,0,1,0,0|2,0,0]=4 125 B7R1.3 OC1CNCCC1 BCP05289 [0,1,0,1,0,0|1,0,0]=3 126 B7R1.4 N[C@@H]1CCC[C@H]1O BCP12204 [0,1,0,1,0,0|2,0,0]=4 127 B7R1.4 OC1CCNC1=O BCP00893 [0,1,0,1,0,0|1,0,1]=4 128 B7R1.22 BrCC(C1CC1)=O BCP05144 [0,1,0,1,0,0|1,0,1]=4 129 B7R1.16 NC1CC(F)(F)C1 BCP19083 [0,1,0,1,0,0|1,0,0]=3 130 B7R1.20 O=C(O)CC1CC1 BCP05386 [0,1,0,1,0,0|1,0,1]=4 131 B7R1.14 FC1(F)CCNC1 BCP14541 [0,1,0,1,0,0|1,0,0]=3 132 B7R2.13 C12CNCC1C2 BCP14124 [0,0,0,2,0,0|0,0,0]=2