0 B5R0.2 C=CCCC=C BCP08456 [0,0,0,0,0,0|1,0,0]=1 1 B5R0.2 NCCCCO BCP18612 [0,0,0,0,0,0|1,0,3]=4 2 B5R0.2 O=CCCC=O BCP20105 [0,0,0,0,0,0|1,0,0]=1 3 B4R0.2 C#CCCN BCP19829 [1,0,0,0,0,0|1,0,2]=4 4 B4R0.2 C=CCON BCP19009 [1,0,0,0,0,0|2,0,0]=3 5 B4R0.2 CSCCN BCP16561 [1,0,0,0,0,0|2,0,1]=4 6 B4R0.2 ClCCCBr BCP16557 [1,0,0,0,0,0|2,0,1]=4 7 B4R0.2 NCCOC BCP15361 [1,0,0,0,0,0|2,0,1]=4 8 B4R0.2 NOCCO BCP11232 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.4 CCCCC(N)=N BCP11276 [0,1,0,0,0,0|1,0,2]=4 10 B6R0.4 OC(CSCC)=O BCP05241 [0,1,0,0,0,0|1,0,2]=4 11 B6R0.6 C=CCCCCO BCP03575 [0,1,0,0,0,0|0,0,2]=3 12 B6R0.6 C=COCCON BCP14665 [0,1,0,0,0,0|2,0,0]=3 13 B6R0.6 O=CCCCCO BCP10790 [0,1,0,0,0,0|0,0,2]=3 14 B6R1.1 C1=CC=CN=C1 BCP06413 [0,0,0,1,0,0|1,0,2]=4 15 B6R1.1 C1=CCNCC1 BCP09736 [0,0,0,1,0,0|2,0,0]=3 16 B6R1.1 C1=NC=CC=C1 BCP10411 [0,0,0,1,0,0|1,0,2]=4 17 B6R1.1 O1CCC=CC1 BCP23557 [0,0,0,1,0,0|2,0,0]=3 18 B6R1.2 BrC1=COC=C1 BCP10263 [0,0,0,1,0,0|2,0,1]=4 19 B6R1.2 BrC1=NNC=C1 BCP00001 [0,0,0,1,0,0|3,0,0]=4 20 B6R1.2 CC1=CC=NO1 BCP11243 [0,0,0,1,0,0|3,0,0]=4 21 B6R1.2 NC1=NCCC1 BCP11252 [0,0,0,1,0,0|2,0,1]=4 22 B6R1.2 O=C1COCC1 BCP14176 [0,0,0,1,0,0|1,0,1]=3 23 B6R1.2 O=C1NCCC1 BCP15175 [0,0,0,1,0,0|1,0,1]=3 24 B6R1.2 O=C1OCC=C1 BCP15247 [0,0,0,1,0,0|1,0,0]=2 25 B6R1.2 O=C1SCCN1 BCP16484 [0,0,0,1,0,0|2,0,1]=4 26 B6R1.2 O=c1[nH]cc[nH]1 BCP13352 [0,0,0,1,0,0|2,0,1]=4 27 B3R0.1 C#CC=O BCP06452 [2,0,0,0,0,0|0,0,2]=4 28 B3R0.1 C=CC=O BCP07056 [2,0,0,0,0,0|0,0,0]=2 29 B3R0.1 CCCN BCP18818 [2,0,0,0,0,0|1,0,1]=4 30 B3R0.1 NCCS BCP15015 [2,0,0,0,0,0|1,1,0]=4 31 B3R0.1 NCCS BCP15033 [2,0,0,0,0,0|1,1,0]=4 32 B5R0.1 CC(OCCl)=O BCP16170 [1,1,0,0,0,0|2,0,0]=4 33 B5R0.1 O=C(Cl)CCBr BCP20557 [1,1,0,0,0,0|1,0,0]=3 34 B5R0.1 O=C(Cl)CCCl BCP09962 [1,1,0,0,0,0|1,0,0]=3 35 B5R0.1 OC(CCO)=O BCP05902 [1,1,0,0,0,0|1,0,0]=3 36 B5R0.1 OC(CCS)=O BCP16636 [1,1,0,0,0,0|1,0,0]=3 37 B7R0.2 O=C(O)C[C@@H](N)CC BCP07772 [0,2,0,0,0,0|0,0,2]=4 38 B7R0.5 CNC[C@H](N)C(O)=O BCP26260 [0,2,0,0,0,0|1,0,1]=4 39 B7R0.5 NC(C(O)=O)CC=C BCP04800 [0,2,0,0,0,0|0,0,0]=2 40 B7R0.5 N[C@@H](COC)C(O)=O BCP14284 [0,2,0,0,0,0|1,0,1]=4 41 B7R0.5 O=C(O)[C@@H](CCN)N BCP11565 [0,2,0,0,0,0|1,0,1]=4 42 B7R0.4 O=C(O)CCCCO BCP10662 [0,2,0,0,0,0|0,0,2]=4 43 B7R0.6 O=C(O)CC[N+]([O-])=O BCP15066 [0,2,0,0,0,0|2,0,0]=4 44 B5R1.1 C1=CCNC1 BCP09734 [1,0,0,1,0,0|1,0,1]=4 45 B5R1.1 S1N=CC=C1 BCP05147 [1,0,0,1,0,0|2,0,0]=4 46 B5R1.2 O=C1CCO1 BCP07366 [1,0,0,1,0,0|1,0,0]=3 47 B5R1.2 O=C1CNC1 BCP10186 [1,0,0,1,0,0|1,0,1]=4 48 B5R1.2 O=C1COC1 BCP05482 [1,0,0,1,0,0|1,0,1]=4 49 B7R1.1 O=CC1=CC=CN1 BCP13856 [0,1,0,1,0,0|0,0,2]=4 50 B7R1.1 O=CC1=CNC=C1 BCP05260 [0,1,0,1,0,0|0,0,2]=4 51 B7R1.1 O=CC1=CNC=N1 BCP04813 [0,1,0,1,0,0|1,0,1]=4 52 B7R1.1 O=CC1=CSC=N1 BCP07009 [0,1,0,1,0,0|1,0,1]=4 53 B7R1.1 O=CC1CCCC1 BCP12309 [0,1,0,1,0,0|0,0,2]=4 54 B7R1.2 O=C1NCC(O)C1 BCP07569 [0,1,0,1,0,0|1,0,1]=4 55 B7R1.3 C=C1CCNCC1 BCP15107 [0,1,0,1,0,0|1,0,1]=4 56 B7R1.3 O=C1C=CC=NN1 BCP04620 [0,1,0,1,0,0|1,0,1]=4 57 B7R1.3 O=C1C=CN=CN1 BCP04213 [0,1,0,1,0,0|1,0,1]=4 58 B7R1.3 O=C1C=CNC=N1 BCP13987 [0,1,0,1,0,0|1,0,1]=4 59 B7R1.3 O=C1CCNCC1 BCP15157 [0,1,0,1,0,0|0,0,2]=4 60 B7R1.3 O=C1CCSCC1 BCP09565 [0,1,0,1,0,0|0,0,2]=4 61 B7R1.3 O=C1NCCCC1 BCP00878 [0,1,0,1,0,0|0,0,2]=4 62 B7R1.3 OC1C=CCCC1 BCP18001 [0,1,0,1,0,0|0,0,2]=4 63 B7R1.4 C=C1CCOC1=O BCP18620 [0,1,0,1,0,0|0,0,0]=2 64 B7R1.4 N[C@H]1CCOC1=O BCP20062 [0,1,0,1,0,0|1,0,1]=4 65 B7R1.4 O=C1CCCN1N BCP15282 [0,1,0,1,0,0|1,0,1]=4 66 B7R1.4 O=C1N(N)CCC1 BCP08744 [0,1,0,1,0,0|1,0,1]=4 67 B7R1.4 O=C1OCC[C@@H]1N BCP19716 [0,1,0,1,0,0|1,0,1]=4 68 B7R1.4 OC1CCNC1=O BCP00893 [0,1,0,1,0,0|1,0,1]=4 69 B7R1.12 O=C(O)[C@@H]1[C@@H](C1)F BCP07708 [0,1,0,1,0,0|1,0,1]=4 70 B7R1.18 O=C(C1CNC1)O BCP07094 [0,1,0,1,0,0|1,0,1]=4 71 B7R1.20 O=C(O)CC1CC1 BCP05386 [0,1,0,1,0,0|0,0,2]=4