0 B9R0.18 CCCCN(C)CCCC CSC000020957 [0,0,0,0,0,0|2,0,0]=2 1 B9R0.18 CCCCN(C)CCCN CSC011191814 [0,0,0,0,0,0|1,0,0]=1 2 B9R0.18 CCCCS(=O)CCCC CSC000031468 [0,0,0,0,0,0|4,0,0]=4 3 B9R0.18 CN(CCCN)CCCN CSC000032369 [0,0,0,0,0,0|0,0,0]=0 4 B8R0.4 CCCCSCCCC CSC000025195 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.16 CCCCN1CCC(C1)C CSC015424907 [0,0,0,1,0,0|2,0,0]=3 6 B10R1.16 COCCN1CCC(C1)O CSC011773437 [0,0,0,1,0,0|3,0,0]=4 7 B10R1.16 COCCN1CC[C@@H](C1)O CSC011851956 [0,0,0,1,0,0|3,0,0]=4 8 B10R1.16 COCCN1CC[C@H](C1)O CSC011852003 [0,0,0,1,0,0|3,0,0]=4 9 B10R1.16 CSCCN1CCC(C1)C CSC046509566 [0,0,0,1,0,0|3,0,0]=4 10 B10R1.16 OC1CCN(C1)CCCF CSC012862546 [0,0,0,1,0,0|2,0,0]=3 11 B10R1.16 O[C@@H]1CCN(C1)CCCF CSC012862561 [0,0,0,1,0,0|2,0,0]=3 12 B10R1.16 O[C@H]1CCN(C1)CCCF CSC012862562 [0,0,0,1,0,0|2,0,0]=3 13 B10R1.17 CCCCN1CCCCC1 CSC000223645 [0,0,0,1,0,0|2,0,0]=3 14 B10R1.17 CCCCN1CCNCC1 CSC011194250 [0,0,0,1,0,0|3,0,0]=4 15 B10R1.17 CCCCN1CCOCC1 CSC000224583 [0,0,0,1,0,0|3,0,0]=4 16 B10R1.17 CCCCN1CCSCC1 CSC015913980 [0,0,0,1,0,0|3,0,0]=4 17 B10R1.17 CSCCN1CCCCC1 CSC000209123 [0,0,0,1,0,0|3,0,0]=4 18 B10R1.17 NCCCN1CCCCC1 CSC000204581 [0,0,0,1,0,0|1,0,0]=2 19 B10R1.17 NCCCN1CCNCC1 CSC011455964 [0,0,0,1,0,0|2,0,0]=3 20 B10R1.17 NCCCN1CCOCC1 CSC000210481 [0,0,0,1,0,0|2,0,0]=3 21 B9R0.8 COC(=O)N(C)CCCN CSC000739217 [1,1,0,0,0,0|1,0,1]=4 22 B9R0.40 CCCCN(CC)CCN CSC011208488 [1,1,0,0,0,0|1,0,0]=3 23 B11R0.36 CCCCN(CCCC)C(=O)C CSC000191710 [0,2,0,0,0,0|2,0,0]=4 24 B11R0.158 CCCCN(CCCC)CC#C CSC000225067 [0,2,0,0,0,0|2,0,0]=4 25 B11R0.158 CCCCN(CCN)CCCC CSC011218293 [0,2,0,0,0,0|2,0,0]=4 26 B11R0.158 CCCCN(CCO)CCCC CSC000227989 [0,2,0,0,0,0|2,0,0]=4 27 B11R0.140 CNCCCN(C)CCCNC CSC000033595 [0,2,0,0,0,0|0,0,0]=2 28 B9R1.8 NCCN1CCSCC1 CSC000755026 [1,0,0,1,0,0|2,0,0]=4 29 B11R1.1 CC1CCN(CC1)CCCF CSC015316295 [0,1,0,1,0,0|2,0,0]=4 30 B11R1.1 CC1CCN(CC1)CCCN CSC000205138 [0,1,0,1,0,0|1,0,0]=3 31 B11R1.1 CC1CCN(CC1)CCCO CSC000213400 [0,1,0,1,0,0|2,0,0]=4 32 B11R1.1 CCCCN1CCC(CC1)C CSC000021023 [0,1,0,1,0,0|2,0,0]=4 33 B11R1.1 CCCCN1CCC(CC1)N CSC000746687 [0,1,0,1,0,0|1,0,0]=3 34 B11R1.1 NC1CCN(CC1)CCCF CSC012860623 [0,1,0,1,0,0|1,0,0]=3 35 B11R1.1 OC1CCN(CC1)CCCF CSC012862524 [0,1,0,1,0,0|2,0,0]=4 36 B11R1.17 CC1CCCCN1CCCF CSC016198936 [0,1,0,1,0,0|2,0,0]=4 37 B11R1.17 CC1CCCCN1CCCN CSC000212276 [0,1,0,1,0,0|1,0,0]=3 38 B11R1.17 CC1CCCCN1CCCO CSC000213889 [0,1,0,1,0,0|2,0,0]=4 39 B11R1.17 CC1CNCCN1CCCN CSC015967503 [0,1,0,1,0,0|2,0,0]=4 40 B11R1.17 CSCCC1CCCCN1C CSC015239825 [0,1,0,1,0,0|2,0,0]=4 41 B11R1.41 CCN1CCCCC1CCO CSC000228433 [0,1,0,1,0,0|2,0,0]=4 42 B11R1.203 CCCCN1CCCNCC1 CSC011194251 [0,1,0,1,0,0|1,0,0]=3 43 B11R1.203 COCCN1CCCNCC1 CSC000740549 [0,1,0,1,0,0|2,0,0]=4 44 B11R1.203 FCCCN1CCCCCC1 CSC012895120 [0,1,0,1,0,0|2,0,0]=4 45 B11R1.203 NCCCN1CCCCCC1 CSC000181460 [0,1,0,1,0,0|1,0,0]=3 46 B11R1.203 NCCCN1CCCNCC1 CSC011455967 [0,1,0,1,0,0|0,0,0]=2 47 B11R1.203 OCCCN1CCCCCC1 CSC000212468 [0,1,0,1,0,0|2,0,0]=4 48 B11R1.203 OCCCN1CCCOCC1 CSC011599119 [0,1,0,1,0,0|2,0,0]=4 49 B11R1.212 CC1CCN(C1C)CCCF CSC015400731 [0,1,0,1,0,0|2,0,0]=4 50 B11R1.24 CC1CCCN(C1)CCCF CSC016052343 [0,1,0,1,0,0|2,0,0]=4 51 B11R1.24 CC1CN(CCN1)CCCN CSC015620312 [0,1,0,1,0,0|1,0,0]=3 52 B11R1.24 CCCCN1CCOC(C1)C CSC015426280 [0,1,0,1,0,0|2,0,0]=4 53 B11R1.24 CCCCN1CCO[C@H](C1)C CSC015827533 [0,1,0,1,0,0|2,0,0]=4 54 B11R1.24 NCCCN1CCNC(=O)C1 CSC000758309 [0,1,0,1,0,0|1,0,1]=4 55 B11R1.24 OCCCN1CCCC(C1)O CSC000213728 [0,1,0,1,0,0|2,0,0]=4 56 B11R1.24 OCCCN1CCC[C@@H](C1)O CSC014194709 [0,1,0,1,0,0|2,0,0]=4 57 B11R1.39 CCC(O)CN1CCC(C1)O CSC011773559 [0,1,0,1,0,0|2,0,0]=4 58 B11R1.39 CC[C@H](O)CN1CCC(C1)O CSC014601263 [0,1,0,1,0,0|2,0,0]=4 59 B11R1.40 CC(CO)CN1CCCCC1 CSC011934647 [0,1,0,1,0,0|2,0,0]=4 60 B11R1.231 CC1CN(CC1C)CCCF CSC015336033 [0,1,0,1,0,0|2,0,0]=4 61 B11R1.15 CC1CCN(C1)C(=O)CCN CSC011434084 [0,1,0,1,0,0|1,0,1]=4 62 B11R1.15 CCCC(=O)N1CCC(C1)N CSC011600442 [0,1,0,1,0,0|1,0,1]=4 63 B11R1.15 CCCC(=O)N1CC[C@@H](C1)N CSC012936781 [0,1,0,1,0,0|1,0,1]=4 64 B11R1.15 CCCC(=O)N1CC[C@H](C1)N CSC012926917 [0,1,0,1,0,0|1,0,1]=4 65 B11R1.29 CN(CCCN)C1CCCC1 CSC011227406 [0,1,0,1,0,0|1,0,0]=3 66 B11R1.230 CC1CC(CN1CCCO)O CSC015428650 [0,1,0,1,0,0|2,0,0]=4 67 B11R1.230 CC1CC(N(C1)CCCF)C CSC015295569 [0,1,0,1,0,0|2,0,0]=4 68 B11R1.75 CC(O)CCN1CCC(C1)O CSC013326687 [0,1,0,1,0,0|2,0,0]=4 69 B11R1.213 CC1(CCN(C1)CCCF)C CSC016023815 [0,1,0,1,0,0|2,0,0]=4 70 B11R1.213 CCCCN1CCC(C1)(F)F CSC015426993 [0,1,0,1,0,0|2,0,0]=4 71 B11R1.28 CNCCCN1CCCCC1 CSC000232496 [0,1,0,1,0,0|1,0,0]=3 72 B11R1.28 CNCCCN1CCOCC1 CSC000224819 [0,1,0,1,0,0|2,0,0]=4 73 B11R1.28 N#CCCCN1CCCCC1 CSC000223656 [0,1,0,1,0,0|1,0,1]=4 74 B11R1.28 NCCCNC1CCCCC1 CSC000211309 [0,1,0,1,0,0|2,0,0]=4 75 B11R1.28 OCCCCN1CCCCC1 CSC011305566 [0,1,0,1,0,0|2,0,0]=4