0 B16R1.643 CCCCCCCCCCc1ccccc1 TS49503 [0,0,1,0,0,0|1,0,0]=2 1 B16R1.643 c1ccc(cc1)CCCCCCCCCCl TS57176 [0,0,1,0,0,0|2,0,0]=3 2 B16R1.643 c1ccc(cc1)CCCCCCCCCO TS49847 [0,0,1,0,0,0|2,0,0]=3 3 B16R1.643 c1ccc(cc1)OCCCCCCCCBr TS54810 [0,0,1,0,0,0|3,0,0]=4 4 B16R1.1694 CCCCCC(=O)OCCc1ccccc1 TS23149 [0,0,1,0,0,0|2,0,1]=4 5 B16R1.4525 CCCCC(CC)CNCc1ccccn1 TS35600 [0,0,1,0,0,0|3,0,0]=4 6 B16R2.2256 c1ccc(cc1)CCCC2CCNCC2 TS19632 [0,0,0,0,1,0|2,0,0]=3 7 B16R2.2256 c1ccc(cc1)CCCC2CCNCC2 TS26434 [0,0,0,0,1,0|2,0,0]=3 8 B16R2.2256 c1ccc(cc1)CCOC2CCCCC2 TS19827 [0,0,0,0,1,0|1,0,0]=2 9 B16R2.2256 c1ccc(cc1)CNCC2CCCCC2 TS38499 [0,0,0,0,1,0|2,0,0]=3 10 B16R2.5334 c1ccc(cc1)CCN2CCCNCC2 TS19835 [0,0,0,0,1,0|2,0,0]=3 11 B15R1.35 CCCCCCCCNc1ccncc1 TS16909 [1,0,1,0,0,0|2,0,0]=4 12 B15R1.35 CCCCCCCCOc1ccccc1 TS20258 [1,0,1,0,0,0|1,0,0]=3 13 B15R1.35 CCCCCCCCOc1ccccc1 TS39079 [1,0,1,0,0,0|1,0,0]=3 14 B15R1.35 CCCCNCCNCc1ccccc1 TS20266 [1,0,1,0,0,0|1,0,0]=3 15 B15R1.35 c1ccc(cc1)CCCCCCCCBr TS73857 [1,0,1,0,0,0|1,0,0]=3 16 B15R1.35 c1ccc(cc1)CCCCCCCCCl TS23937 [1,0,1,0,0,0|1,0,0]=3 17 B15R1.35 c1ccc(cc1)CCCCCCCCO TS39084 [1,0,1,0,0,0|1,0,0]=3 18 B15R1.35 c1ccc(cc1)COCCCCCCBr TS74102 [1,0,1,0,0,0|2,0,0]=4 19 B17R1.11 CCCCCCCCCCc1ccc(cc1)Br TS58724 [0,1,1,0,0,0|1,0,0]=3 20 B17R1.11 CCCCCCCCCCc1ccc(cc1)N TS03072 [0,1,1,0,0,0|1,0,0]=3 21 B17R1.11 CCCCCCCCCCc1ccc(cc1)O TS25636 [0,1,1,0,0,0|1,0,0]=3 22 B17R1.11 CCCCCCCCCOc1ccc(cc1)N TS56704 [0,1,1,0,0,0|2,0,0]=4 23 B17R1.754 CCCCCCCCCC(=O)c1ccccc1 TS53364 [0,1,1,0,0,0|1,0,1]=4 24 B17R1.754 CCCCCCCCC[C@@H](c1ccccc1)O TS25630 [0,1,1,0,0,0|1,0,0]=3 25 B17R1.1242 c1ccc(cc1)CCCCCCCCCCBr TS58723 [0,1,1,0,0,0|1,0,0]=3 26 B17R1.1242 c1ccc(cc1)CCCCCCCCCCO TS25633 [0,1,1,0,0,0|1,0,0]=3 27 B17R1.1292 CCCCCCCNC(=S)Nc1ccccc1 TS62906 [0,1,1,0,0,0|1,0,1]=4 28 B17R1.7823 CCCCCCC(=O)OCCc1ccccc1 TS56529 [0,1,1,0,0,0|1,0,1]=4 29 B17R1.16611 CC(C)CCCC(C)CCCc1ccccc1 TS53378 [0,1,1,0,0,0|1,0,0]=3 30 B17R2.143 c1ccc(cc1)CC(=O)OC2CCCCC2 TS49469 [0,1,0,0,1,0|1,0,1]=4 31 B17R2.143 c1ccc(cc1)NC(=S)NC2CCCCC2 TS25628 [0,1,0,0,1,0|1,0,1]=4 32 B17R2.2342 c1ccc(cc1)C(CCN2CCCCC2)N TS46497 [0,1,0,0,1,0|2,0,0]=4 33 B17R2.2342 c1ccc(cc1)C(CNC2CCCCC2)O TS22648 [0,1,0,0,1,0|0,0,0]=2 34 B17R2.2342 c1ccc(cc1)CCC(=O)C2CCCCC2 TS22116 [0,1,0,0,1,0|1,0,0]=3 35 B17R2.7398 c1cc2c(nc1)CCCCCCCCCC2 TS22280 [0,0,1,1,0,0|2,0,0]=4 36 B15R1.528 CCCCCCCCCCc1ccsc1 TS50547 [0,0,1,0,1,0|2,0,0]=4 37 B15R2.2195 c1cc(cnc1)CNC2CCCCC2 TS17164 [0,0,0,0,2,0|1,0,0]=3 38 B15R2.2195 c1cc(cnc1)CNC2CCOCC2 TS17535 [0,0,0,0,2,0|2,0,0]=4 39 B15R2.2195 c1cc(cnc1)NCC2CCCCC2 TS68690 [0,0,0,0,2,0|2,0,0]=4 40 B15R2.2195 c1ccc(cc1)CCC2CCCCN2 TS16242 [0,0,0,0,2,0|1,0,0]=3 41 B15R2.2195 c1ccc(cc1)CCC2CCCNC2 TS16237 [0,0,0,0,2,0|1,0,0]=3 42 B15R2.2195 c1ccc(cc1)CCC2CCNCC2 TS59523 [0,0,0,0,2,0|1,0,0]=3 43 B15R2.2195 c1ccc(cc1)CCC2CNCCN2 TS17175 [0,0,0,0,2,0|2,0,0]=4 44 B15R2.2195 c1ccc(cc1)CCN2CCNCC2 TS17173 [0,0,0,0,2,0|2,0,0]=4 45 B15R2.2195 c1ccc(cc1)CC[C@H]2CNCCN2 TS17171 [0,0,0,0,2,0|2,0,0]=4 46 B15R2.2195 c1ccc(cc1)CNC2CCCCC2 TS16240 [0,0,0,0,2,0|0,0,0]=2 47 B15R2.2195 c1ccc(cc1)CNC2CCOCC2 TS51342 [0,0,0,0,2,0|1,0,0]=3 48 B15R2.2195 c1ccnc(c1)CCN2CCCCC2 TS17156 [0,0,0,0,2,0|2,0,0]=4 49 B15R2.2195 c1ccnc(c1)CNC2CCOCC2 TS17533 [0,0,0,0,2,0|2,0,0]=4 50 B15R2.2195 c1ccnc(c1)NCC2CCCCC2 TS68688 [0,0,0,0,2,0|2,0,0]=4 51 B15R2.2195 c1cnccc1CCN2CCCCC2 TS17154 [0,0,0,0,2,0|2,0,0]=4 52 B15R2.2195 c1cnccc1CNC2CCCCC2 TS17165 [0,0,0,0,2,0|1,0,0]=3 53 B15R2.2195 c1cnccc1CNC2CCOCC2 TS51510 [0,0,0,0,2,0|2,0,0]=4 54 B15R2.2196 c1ccc(cc1)CCCC2CCCO2 TS51152 [0,0,0,0,2,0|2,0,0]=4 55 B15R2.2167 c1ccc(cc1)CN2CCCNCC2 TS68687 [0,0,0,0,2,0|2,0,0]=4