0 B6R0.4 BrCCCN(C)C BCP18662 [0,0,0,0,0,0|4,0,0]=4 1 B6R0.4 CC(C)CCCO BCP06801 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.4 CCCCC(N)=N BCP11276 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.4 O=C(O)\C=C\CBr BCP11140 [0,0,0,0,0,0|1,0,2]=3 4 B6R0.4 OC(CSCC)=O BCP05241 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.1 CC(OCCl)=O BCP16170 [1,0,0,0,0,0|3,0,0]=4 6 B5R0.1 NC(SCC)=N BCP20133 [1,0,0,0,0,0|3,0,0]=4 7 B5R0.1 O=C(Cl)CCBr BCP20557 [1,0,0,0,0,0|2,0,0]=3 8 B5R0.1 O=C(Cl)CCCl BCP09962 [1,0,0,0,0,0|2,0,0]=3 9 B5R0.1 OC(CCO)=O BCP05902 [1,0,0,0,0,0|1,0,0]=2 10 B5R0.1 OC(CCS)=O BCP16636 [1,0,0,0,0,0|1,0,0]=2 11 B5R0.1 [S-]C(OCC)=S BCP29024 [1,0,0,0,0,0|1,2,0]=4 12 B5R0.2 C=CCCC=C BCP08456 [1,0,0,0,0,0|2,0,1]=4 13 B5R0.2 NCCCCO BCP18612 [1,0,0,0,0,0|0,0,1]=2 14 B5R0.2 O=CCCC=O BCP20105 [1,0,0,0,0,0|1,0,1]=3 15 B7R0.2 O=C(O)C[C@@H](N)CC BCP07772 [0,1,0,0,0,0|1,0,0]=2 16 B7R0.3 O=C(OC)\C=C\CBr BCP09298 [0,1,0,0,0,0|1,0,2]=4 17 B7R0.4 O=C(O)CCCCO BCP10662 [0,1,0,0,0,0|1,0,0]=2 18 B7R0.4 OC(\C=C\OCC)=O BCP05609 [0,1,0,0,0,0|1,0,2]=4 19 B7R0.5 C#CC[C](N)C(O)=O BCP11742 [0,1,0,0,0,0|1,0,2]=4 20 B7R0.5 CNC[C@H](N)C(O)=O BCP26260 [0,1,0,0,0,0|2,0,0]=3 21 B7R0.5 COC[C](C(O)=O)N BCP11642 [0,1,0,0,0,0|2,0,1]=4 22 B7R0.5 NC(C(O)=O)CC=C BCP04800 [0,1,0,0,0,0|1,0,1]=3 23 B7R0.5 N[C@@H](COC)C(O)=O BCP14284 [0,1,0,0,0,0|2,0,0]=3 24 B7R0.5 O=C(O)[C@@H](CCN)N BCP11565 [0,1,0,0,0,0|0,0,0]=1 25 B7R0.5 O=C(O)[C](CNC)N BCP09610 [0,1,0,0,0,0|2,0,1]=4 26 B7R0.6 O=C(O)CC[N+]([O-])=O BCP15066 [0,1,0,0,0,0|2,0,0]=3 27 B7R0.6 O=C(O)CSC(F)F BCP19125 [0,1,0,0,0,0|2,0,0]=3 28 B7R0.8 CS(=O)(=O)CCCO BCP18464 [0,1,0,0,0,0|2,0,1]=4 29 B7R0.8 NCCOP(O)(O)=O BCP16057 [0,1,0,0,0,0|2,0,0]=3 30 B7R0.8 OP(CCCN)(O)=O BCP08275 [0,1,0,0,0,0|1,0,0]=2 31 B7R1.2 O=C1NCC(O)C1 BCP07569 [0,0,0,1,0,0|3,0,0]=4 32 B7R1.2 O=C1OC[C@@H](C)O1 BCP12993 [0,0,0,1,0,0|2,0,0]=3 33 B7R1.3 NC1CNCCC1 BCP10242 [0,0,0,1,0,0|2,0,1]=4 34 B7R1.3 N[C]1CNCCC1 BCP08366 [0,0,0,1,0,0|2,0,1]=4 35 B7R1.3 O=C1CCNCC1 BCP15157 [0,0,0,1,0,0|3,0,0]=4 36 B7R1.3 O=C1CCSCC1 BCP09565 [0,0,0,1,0,0|3,0,0]=4 37 B7R1.3 O=C1NCCCC1 BCP00878 [0,0,0,1,0,0|2,0,0]=3 38 B7R1.3 OC1C=CCCC1 BCP18001 [0,0,0,1,0,0|2,0,1]=4 39 B7R1.3 OC1CCCNC1 BCP05290 [0,0,0,1,0,0|1,0,1]=3 40 B7R1.3 OC1CNCCC1 BCP05289 [0,0,0,1,0,0|1,0,1]=3 41 B7R1.12 O=C(O)[C@@H]1[C@@H](C1)F BCP07708 [0,0,0,1,0,0|1,0,0]=2 42 B7R1.18 O=C(C1CNC1)O BCP07094 [0,0,0,1,0,0|2,0,0]=3 43 B7R1.18 OB(C1CCC1)O BCP05474 [0,0,0,1,0,0|2,0,1]=4 44 B7R1.20 O=C(O)CC1CC1 BCP05386 [0,0,0,1,0,0|1,0,0]=2 45 B4R0.1 CC(CBr)=O BCP06577 [2,0,0,0,0,0|2,0,0]=4 46 B4R0.1 CC(O)CN BCP08083 [2,0,0,0,0,0|1,0,1]=4 47 B4R0.1 C[C@@H](O)CC BCP06774 [2,0,0,0,0,0|1,0,1]=4 48 B4R0.1 NC(CN)=N BCP12671 [2,0,0,0,0,0|2,0,0]=4 49 B4R0.1 O=C(O)CCl BCP20585 [2,0,0,0,0,0|1,0,0]=3 50 B4R0.1 O=CC(O)=O BCP15407 [2,0,0,0,0,0|1,0,1]=4 51 B4R0.1 OC(C#C)=O BCP18740 [2,0,0,0,0,0|0,0,2]=4 52 B4R0.2 C#CCCN BCP19829 [2,0,0,0,0,0|0,0,2]=4 53 B4R0.2 C=CCON BCP19009 [2,0,0,0,0,0|1,0,1]=4 54 B4R0.2 CSCCN BCP16561 [2,0,0,0,0,0|1,0,1]=4 55 B4R0.2 ClCCCBr BCP16557 [2,0,0,0,0,0|2,0,0]=4 56 B4R0.2 NCCOC BCP15361 [2,0,0,0,0,0|1,0,1]=4 57 B4R0.2 NOCCO BCP11232 [2,0,0,0,0,0|1,0,0]=3 58 B6R0.1 O=C(C#N)OCC BCP04941 [1,1,0,0,0,0|2,0,0]=4 59 B6R0.1 O=C(C=C)OCC BCP06341 [1,1,0,0,0,0|2,0,0]=4 60 B6R0.1 O=C(OC)CCO BCP16887 [1,1,0,0,0,0|1,0,0]=3 61 B6R0.1 O=C(OC)CCS BCP16637 [1,1,0,0,0,0|1,0,0]=3 62 B6R0.1 O=C(OCC)CBr BCP04940 [1,1,0,0,0,0|2,0,0]=4 63 B6R0.2 CC(C)CC(N)=O BCP05941 [1,1,0,0,0,0|1,0,0]=3 64 B6R0.2 CC(C)NC(C)=O BCP19527 [1,1,0,0,0,0|2,0,0]=4 65 B6R0.2 CC(CC(N)=O)=O BCP19964 [1,1,0,0,0,0|1,0,1]=4 66 B6R0.2 C[C@@H](N)CC(O)=O BCP11586 [1,1,0,0,0,0|0,0,0]=2 67 B6R0.2 C[C@@H](N)CC(O)=O BCP16924 [1,1,0,0,0,0|0,0,0]=2 68 B6R0.2 OB(CC(C)C)O BCP12813 [1,1,0,0,0,0|1,0,1]=4 69 B6R0.2 OC(CC(O)=O)=O BCP05571 [1,1,0,0,0,0|1,0,1]=4 70 B6R0.3 CC[C@@H](N)C(O)=O BCP17075 [1,1,0,0,0,0|0,0,0]=2 71 B6R0.3 CC[C](N)C(O)=O BCP04716 [1,1,0,0,0,0|0,0,1]=3 72 B6R0.3 C[C@@H](CC)C(O)=O BCP18859 [1,1,0,0,0,0|0,0,0]=2 73 B6R0.3 C\C=C(C)\C(O)=O BCP18945 [1,1,0,0,0,0|0,0,2]=4 74 B6R0.3 NC(CC)C(N)=O BCP08675 [1,1,0,0,0,0|1,0,0]=3 75 B6R0.3 N[C@H](C(O)=N)CO BCP06965 [1,1,0,0,0,0|2,0,0]=4 76 B6R0.3 N[C](CO)C(O)=O BCP06311 [1,1,0,0,0,0|1,0,1]=4 77 B6R0.5 CS(CCN)(=O)=O BCP09595 [1,1,0,0,0,0|1,0,1]=4 78 B6R0.5 NCCS(=O)(=O)C BCP04141 [1,1,0,0,0,0|1,0,1]=4 79 B6R0.5 NS(CCC)(=O)=O BCP20038 [1,1,0,0,0,0|1,0,1]=4 80 B6R0.6 C=CCCCCO BCP03575 [1,1,0,0,0,0|1,0,1]=4 81 B6R0.6 C=COCCON BCP14665 [1,1,0,0,0,0|2,0,0]=4 82 B6R0.6 CCCCCCO BCP29486 [1,1,0,0,0,0|1,0,1]=4 83 B6R0.6 COCCCCCl BCP14187 [1,1,0,0,0,0|1,0,1]=4 84 B6R0.6 O=CCCCCO BCP10790 [1,1,0,0,0,0|1,0,0]=3 85 B6R0.6 OCCCCOC BCP22070 [1,1,0,0,0,0|1,0,1]=4 86 B8R0.19 O=C(OC)CC(CCl)=O BCP19731 [0,2,0,0,0,0|1,0,1]=4 87 B8R0.19 O=C(OC)CC(O)CCl BCP13432 [0,2,0,0,0,0|1,0,0]=3 88 B8R0.23 CC(C)[C@@H](CC(=O)O)N BCP11719 [0,2,0,0,0,0|1,0,0]=3 89 B8R0.23 C[C@@H](CC(=O)O)C(=O)O BCP23566 [0,2,0,0,0,0|1,0,1]=4 90 B8R0.23 N[C@@H](CC(O)=O)C(O)=O BCP13530 [0,2,0,0,0,0|1,0,1]=4 91 B8R0.1 C#CCCC(=O)CCO BCP18051 [0,2,0,0,0,0|1,0,1]=4 92 B8R0.8 N[C](C(O)=O)CCCN BCP18679 [0,2,0,0,0,0|0,0,0]=2 93 B8R0.8 N[C](CCCN)C(O)=O BCP13629 [0,2,0,0,0,0|0,0,0]=2 94 B8R0.8 O=C([O-])C(O)CCSC BCP11942 [0,2,0,0,0,0|1,0,1]=4 95 B8R0.9 C=CC(N)CCC(O)=O BCP16218 [0,2,0,0,0,0|0,0,0]=2 96 B8R0.9 C=C[C@@H](N)CCC(O)=O BCP09861 [0,2,0,0,0,0|0,0,0]=2 97 B8R0.9 NCC(=O)CCC(O)=O BCP23830 [0,2,0,0,0,0|0,0,0]=2 98 B8R0.9 O=C(O)CCC(CN)=O BCP02161 [0,2,0,0,0,0|0,0,0]=2 99 B8R0.7 NC(NCCCCN)=N BCP06575 [0,2,0,0,0,0|2,0,0]=4 100 B8R0.28 O=C(O)\C=C\CN(C)C BCP05598 [0,2,0,0,0,0|0,0,2]=4 101 B8R0.28 O=C(O)\C=C\CN(C)C BCP09008 [0,2,0,0,0,0|0,0,2]=4 102 B8R0.29 O=C(O)CNC(C)(C)C BCP01461 [0,2,0,0,0,0|2,0,0]=4 103 B6R1.2 CC1CCCO1 BCP16203 [1,0,0,1,0,0|1,0,1]=4 104 B6R1.2 NC1=NCCC1 BCP11252 [1,0,0,1,0,0|2,0,0]=4 105 B6R1.2 O=C1COCC1 BCP14176 [1,0,0,1,0,0|2,0,0]=4 106 B6R1.2 O=C1NCCC1 BCP15175 [1,0,0,1,0,0|1,0,0]=3 107 B6R1.2 O=C1OCC=C1 BCP15247 [1,0,0,1,0,0|0,0,2]=4 108 B6R1.2 O=C1SCCN1 BCP16484 [1,0,0,1,0,0|1,1,0]=4 109 B6R1.2 O[C@@H]1CNCC1 BCP14826 [1,0,0,1,0,0|1,0,1]=4 110 B6R1.2 O[C@@H]1CNCC1 BCP15469 [1,0,0,1,0,0|1,0,1]=4 111 B6R1.1 C1=CCNCC1 BCP09736 [1,0,0,1,0,0|1,0,1]=4 112 B6R1.1 N1CCCCC1 BCP15342 [1,0,0,1,0,0|1,0,1]=4 113 B6R1.6 OCC1CCC1 BCP17767 [1,0,0,1,0,0|1,0,1]=4 114 B8R1.1 NCC1CC(Br)=NO1 BCP19108 [0,1,0,1,0,0|1,0,0]=3 115 B8R1.1 O=C1NOC(CN)=C1 BCP23771 [0,1,0,1,0,0|0,0,2]=4 116 B8R1.4 CN1CCNC(=O)C1 BCP17253 [0,1,0,1,0,0|2,0,0]=4 117 B8R1.4 NC=1CCCC(C1)=O BCP19985 [0,1,0,1,0,0|1,0,0]=3 118 B8R1.4 O=C1CC(N)CCN1 BCP07513 [0,1,0,1,0,0|1,0,0]=3 119 B8R1.4 OC1CCNC(=O)C1 BCP11689 [0,1,0,1,0,0|2,0,0]=4 120 B8R1.34 O=C(O)CC1CCC1 BCP15064 [0,1,0,1,0,0|1,0,0]=3 121 B8R1.2 OC[C@@H]1CCCNC1 BCP11184 [0,1,0,1,0,0|1,0,1]=4 122 B8R1.3 NC1CCC(O)CC1 BCP06182 [0,1,0,1,0,0|1,0,1]=4 123 B8R1.3 O=C1NCC(C)CC1 BCP14293 [0,1,0,1,0,0|2,0,0]=4 124 B8R1.5 O=C1C(O)CCCO1 BCP06471 [0,1,0,1,0,0|1,0,0]=3 125 B8R1.7 O=C(N)[C]1NCCC1 BCP07471 [0,1,0,1,0,0|1,0,0]=3 126 B8R1.7 O=C(O)C1=COCC1 BCP10326 [0,1,0,1,0,0|1,0,1]=4 127 B8R1.7 O=C(O)C1CNCC1 BCP04865 [0,1,0,1,0,0|0,0,0]=2 128 B8R1.7 O=C([C]1NCSC1)O BCP13616 [0,1,0,1,0,0|0,0,1]=3 129 B8R1.7 OC(=O)C1COCC1 BCP08172 [0,1,0,1,0,0|1,0,0]=3 130 B8R1.35 [*]C(OC[C@@H]1OC1)=O BCP12886 [0,1,0,1,0,0|2,0,0]=4 131 B8R1.72 O=S1(CCCCO1)=O BCP23575 [0,1,0,1,0,0|2,0,0]=4 132 B8R1.23 CN1CC(C1)C(=O)O BCP08430 [0,1,0,1,0,0|2,0,0]=4 133 B8R1.23 O=C(C1CC(C1)=O)O BCP01232 [0,1,0,1,0,0|1,0,1]=4 134 B8R1.23 O=C(C1CC(N1)=O)O BCP06201 [0,1,0,1,0,0|0,0,1]=3 135 B8R1.23 O=C(O)[C@@H]1C[C@@H](N)C1 BCP04214 [0,1,0,1,0,0|0,0,0]=2 136 B8R1.54 O=C(O)[C@@H](N)C1CC1 BCP11588 [0,1,0,1,0,0|1,0,0]=3 137 B8R1.77 O=C(C1C(F)(F)C1)O BCP19593 [0,1,0,1,0,0|1,0,0]=3