0 B9R1.3 O=C1CCCC(=O)C1Br BBS-00000165 [0,0,0,0,0,0|2,0,2]=4 1 B8R1.4 CC1CCCC(C)N1 BBS-00000942 [1,0,0,0,0,0|2,0,1]=4 2 B8R1.4 CC1CCCC(O)C1 BBS-00028120 [1,0,0,0,0,0|0,0,3]=4 3 B8R1.4 CN1CCCC(=O)C1 BBS-00032400 [1,0,0,0,0,0|1,0,1]=3 4 B8R1.4 NC1=CC(=O)CCC1 BBS-00015058 [1,0,0,0,0,0|1,0,1]=3 5 B8R1.4 O=C1C=C(Cl)CCC1 BBS-00015055 [1,0,0,0,0,0|1,0,1]=3 6 B8R1.5 NC1CCCCC1=O BBS-00031889 [1,0,0,0,0,0|1,0,1]=3 7 B8R1.5 O=C1CCCC=C1O BBS-00026328 [1,0,0,0,0,0|0,0,2]=3 8 B8R1.5 O=C1NCCNC1=O BBS-00016501 [1,0,0,0,0,0|2,0,0]=3 9 B8R0.2 CCC(C)C(N)C(=O)O BBS-00028939 [0,0,1,0,0,0|2,0,1]=4 10 B8R0.2 CCC(C)[C@H](N)C(=O)O BBS-00038982 [0,0,1,0,0,0|2,0,1]=4 11 B8R0.2 COC(=O)C(N)C(C)C BBS-00022914 [0,0,1,0,0,0|2,0,1]=4 12 B8R0.2 COC(=O)[C@@H](N)C(C)C BBS-00027469 [0,0,1,0,0,0|2,0,1]=4 13 B8R0.6 CCCCOC(=O)CN BBS-00038720 [0,0,1,0,0,0|2,0,1]=4 14 B8R0.6 COCCCC(=O)OC BBS-00025181 [0,0,1,0,0,0|3,0,0]=4 15 B10R2.68 O=C1CCCC2CCC12 BBS-00029411 [0,0,0,1,0,0|1,0,1]=3 16 B7R0.2 CC(C)NC(=O)CCl BBS-00009628 [1,0,1,0,0,0|2,0,0]=4 17 B7R0.2 CC(C)OC(=O)CCl BBS-00003849 [1,0,1,0,0,0|2,0,0]=4 18 B7R0.2 CC(C)OC(=O)C[NH3+] BBS-00038711 [1,0,1,0,0,0|2,0,0]=4 19 B7R0.5 CC(=O)C(C)CCO BBS-00023798 [1,0,1,0,0,0|1,0,1]=4 20 B7R0.5 CCCC(N)C(=O)O BBS-00028258 [1,0,1,0,0,0|1,0,1]=4 21 B7R0.5 CCOC(=O)C(=O)[O-] BBS-00033022 [1,0,1,0,0,0|2,0,0]=4 22 B7R0.5 CCOC(=O)C(C)Br BBS-00029301 [1,0,1,0,0,0|2,0,0]=4 23 B7R0.5 CCOC(=O)C(C)N BBS-00028471 [1,0,1,0,0,0|2,0,0]=4 24 B7R0.3 CCCNC(=O)CCl BBS-00006591 [1,0,1,0,0,0|2,0,0]=4 25 B7R0.3 CCCOC(=O)CCl BBS-00032534 [1,0,1,0,0,0|2,0,0]=4 26 B7R0.7 CCCC(=O)CCC BBS-00038797 [1,0,1,0,0,0|0,0,1]=3 27 B7R0.7 CCNC(=O)CCN BBS-00032030 [1,0,1,0,0,0|2,0,0]=4 28 B7R0.7 CCOC(=O)CCN BBS-00027448 [1,0,1,0,0,0|2,0,0]=4 29 B7R0.7 CCOC(=O)CNC BBS-00025572 [1,0,1,0,0,0|2,0,0]=4 30 B7R0.4 CCCCNC(N)=O BBS-00036312 [1,0,1,0,0,0|2,0,0]=4 31 B7R0.4 CNCCCC(=O)O BBS-00027557 [1,0,1,0,0,0|1,0,1]=4 32 B7R0.4 COCCCC(=O)O BBS-00025182 [1,0,1,0,0,0|1,0,1]=4 33 B7R0.4 NCCCCC(=O)O BBS-00027472 [1,0,1,0,0,0|1,0,1]=4 34 B7R1.3 CC1CCCCN1 BBS-00003594 [2,0,0,0,0,0|1,0,1]=4 35 B7R1.3 O=C1C=COCC1 BBS-00032488 [2,0,0,0,0,0|1,0,1]=4 36 B7R1.3 O=C1CCCCN1 BBS-00039482 [2,0,0,0,0,0|1,0,0]=3 37 B7R1.3 O=C1CCSCC1 BBS-00036766 [2,0,0,0,0,0|1,0,1]=4 38 B7R1.3 O=C1CNCCN1 BBS-00007028 [2,0,0,0,0,0|2,0,0]=4 39 B7R1.3 O=C1CSCCN1 BBS-00000247 [2,0,0,0,0,0|2,0,0]=4 40 B7R1.3 O=C1NCCCO1 BBS-00028287 [2,0,0,0,0,0|2,0,0]=4 41 B9R0.6 CCOC(=O)C(N)C(C)C BBS-00027431 [0,1,1,0,0,0|1,0,1]=4 42 B9R0.46 COC(=O)CCCCCN BBS-00022973 [0,1,1,0,0,0|2,0,0]=4 43 B9R0.46 COC(=O)CCCCCN BBS-00031804 [0,1,1,0,0,0|2,0,0]=4 44 B9R1.2 CCN1CCCC(=O)C1 BBS-00032402 [1,1,0,0,0,0|1,0,1]=4 45 B9R1.34 CC1CC(=O)C=C(Cl)C1 BBS-00015318 [1,1,0,0,0,0|1,0,1]=4 46 B9R1.34 CC1CC(=O)C=C(N)C1 BBS-00015326 [1,1,0,0,0,0|1,0,1]=4 47 B9R1.34 CC1CC(=O)CC(=O)C1 BBS-00005780 [1,1,0,0,0,0|0,0,2]=4 48 B9R1.15 N#CC1=C(N)CCCC1 BBS-00029608 [1,1,0,0,0,0|2,0,0]=4 49 B9R1.132 CNC1CCN(C)C1=O BBS-00032901 [0,1,0,0,1,0|2,0,0]=4 50 B11R1.945 CC1(C)CCCC(C#N)C1=O BBS-00024889 [0,2,0,0,0,0|1,0,1]=4 51 B7R1.2 NC1=CC(=O)CC1 BBS-00025192 [1,0,0,0,1,0|1,0,1]=4 52 B7R1.4 NC1CCCC1=O BBS-00029499 [1,0,0,0,1,0|1,0,0]=3 53 B7R1.4 NC1CCCC1=O BBS-00033202 [1,0,0,0,1,0|1,0,0]=3 54 B7R1.4 NC1CCSC1=O BBS-00038427 [1,0,0,0,1,0|2,0,0]=4 55 B7R1.4 NN1CCCC1=O BBS-00028647 [1,0,0,0,1,0|2,0,0]=4 56 B7R1.4 O=C1NCCC1Br BBS-00032717 [1,0,0,0,1,0|2,0,0]=4 57 B7R1.4 O=C1OCCC1Br BBS-00015213 [1,0,0,0,1,0|2,0,0]=4