0 B8R0.7 C#CCCCCC(=O)O CS-0020150 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.7 CN(C)CCOCCO CS-W011078 [0,0,0,0,0,0|4,0,0]=4 2 B8R0.7 O=C(O)CCCCCBr CS-W007559 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.1 C#CCCCCCO CS-W007441 [1,0,0,0,0,0|1,0,2]=4 4 B7R0.1 ClCCCCCCI CS-0059200 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.1 NCCCCCCN CS-W015964 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.1 OCCCCCCCl CS-B1599 [1,0,0,0,0,0|1,0,2]=4 7 B7R0.4 C(CCC)=CC(=O)O CS-W011247 [1,0,0,0,0,0|1,0,2]=4 8 B7R0.4 CCCCCB(O)O CS-W018820 [1,0,0,0,0,0|2,0,1]=4 9 B9R0.48 CCOC(=O)CCC(C)=O CS-W011009 [0,1,0,0,0,0|1,0,1]=3 10 B9R0.48 CCOC(=O)CNC(C)=O CS-W016367 [0,1,0,0,0,0|2,0,1]=4 11 B9R1.2 CN1CCCC(CO)C1 CS-W021353 [0,0,0,1,0,0|3,0,0]=4 12 B9R1.6 CC(=O)C1CCNCC1 CS-W021259 [0,0,0,1,0,0|1,0,0]=2 13 B9R1.6 CC(=O)N1CCOCC1 CS-W011119 [0,0,0,1,0,0|2,0,0]=3 14 B9R1.6 O=C(O)C1COCCN1 CS-0043809 [0,0,0,1,0,0|3,0,0]=4 15 B9R1.13 CC(=O)NC1CCCC1 CS-D0484 [0,0,0,1,0,0|1,0,0]=2 16 B9R1.13 CC(=O)NC1CCNC1 CS-0094541 [0,0,0,1,0,0|2,0,0]=3 17 B9R1.13 O=C(O)CC1CCCN1 CS-W017883 [0,0,0,1,0,0|2,0,0]=3 18 B9R1.41 CC(=O)C1CCOC1=O CS-0015945 [0,0,0,1,0,0|2,0,1]=4 19 B6R0.6 C=CCCCCBr CS-W008939 [2,0,0,0,0,0|1,0,1]=4 20 B6R0.6 ClCCCCCBr CS-W016940 [2,0,0,0,0,0|2,0,0]=4 21 B6R0.6 FCCCCCBr CS-W005161 [2,0,0,0,0,0|2,0,0]=4 22 B6R0.6 ICCCCCI CS-0041009 [2,0,0,0,0,0|2,0,0]=4 23 B6R0.4 CC(=O)CCCCl CS-W013569 [2,0,0,0,0,0|1,0,0]=3 24 B6R0.4 CC(=O)OCCBr CS-W007598 [2,0,0,0,0,0|2,0,0]=4 25 B6R0.4 CCCOC(N)=O CS-W019060 [2,0,0,0,0,0|2,0,0]=4 26 B6R0.4 COCCC(=O)O CS-W009112 [2,0,0,0,0,0|2,0,0]=4 27 B8R0.4 COCCNCCOC CS-D1692 [1,1,0,0,0,0|2,0,0]=4 28 B8R0.8 CCCCC(N)C(=O)O CS-W013425 [1,1,0,0,0,0|1,0,0]=3 29 B8R0.28 CC(=O)CCC=C(C)C CS-W011151 [1,1,0,0,0,0|0,0,2]=4 30 B8R0.28 CN(C)CCCC(=O)O CS-W007989 [1,1,0,0,0,0|2,0,0]=4 31 B10R0.22 CCCCCCOS(C)(=O)=O CS-0099480 [0,2,0,0,0,0|1,0,0]=3 32 B10R0.1 CCOC(=O)CCCCCBr CS-W022710 [0,2,0,0,0,0|1,0,0]=3 33 B8R1.2 N#CC1CCCCC1 CS-W019522 [1,0,0,1,0,0|1,0,1]=4 34 B8R1.2 O=CN1CCOCC1 CS-W016603 [1,0,0,1,0,0|2,0,0]=4 35 B8R1.5 CC1CCCCC1=O CS-W011265 [1,0,0,1,0,0|0,0,0]=2 36 B8R1.5 CC1CNCCN1C CS-W005051 [1,0,0,1,0,0|2,0,0]=4 37 B8R1.5 NC1CCCNC1=O CS-D0182 [1,0,0,1,0,0|2,0,0]=4 38 B8R1.5 O=C1CCNCC1F CS-0044438 [1,0,0,1,0,0|2,0,0]=4 39 B8R1.8 COC[C@H]1CCCN1 CS-W002305 [1,0,0,1,0,0|2,0,0]=4 40 B8R1.11 CCN1CCCC1=O CS-W013650 [1,0,0,1,0,0|1,0,0]=3 41 B8R1.22 O=C1C=CCCCC1 CS-W007594 [1,0,0,1,0,0|0,0,2]=4 42 B8R1.1 O=C1CC[C@H](CBr)N1 CS-W020693 [1,0,0,1,0,0|2,0,0]=4 43 B8R1.4 CC1CCCC(N)C1 CS-D0430 [1,0,0,1,0,0|1,0,1]=4 44 B8R1.4 O=C1CCCC(=O)C1 CS-W007466 [1,0,0,1,0,0|1,0,1]=4 45 B8R1.7 CC(=O)C1CCCC1 CS-W020214 [1,0,0,1,0,0|0,0,0]=2 46 B8R1.7 NC(=O)C1CCCN1 CS-W005850 [1,0,0,1,0,0|2,0,0]=4 47 B8R1.7 NC(=O)[C@@H]1CCCN1 CS-W018129 [1,0,0,1,0,0|2,0,0]=4 48 B8R1.7 O=C(O)C1CCCC1 CS-W007448 [1,0,0,1,0,0|1,0,0]=3 49 B10R1.13 CC(=O)N1CCC(O)CC1 CS-0044711 [0,1,0,1,0,0|1,0,0]=3 50 B10R1.13 CN1CCC(C(=O)O)CC1 CS-W004085 [0,1,0,1,0,0|2,0,0]=4 51 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CC1 CS-0035994 [0,1,0,1,0,0|1,0,0]=3 52 B10R1.13 O=C1CCC(C(=O)O)CC1 CS-W004786 [0,1,0,1,0,0|1,0,1]=4 53 B10R1.18 O=C(O)CC1COCCN1 CS-0042630 [0,1,0,1,0,0|2,0,0]=4 54 B10R1.18 O=C(O)CN1CCOCC1 CS-M2897 [0,1,0,1,0,0|2,0,0]=4 55 B10R1.61 CN1CCCCC1C(=O)O CS-W021361 [0,1,0,1,0,0|1,0,0]=3 56 B10R1.61 CN1CCCC[C@H]1C(=O)O CS-W021154 [0,1,0,1,0,0|1,0,0]=3 57 B10R1.15 CNC(=O)C1CCCNC1 CS-0094687 [0,1,0,1,0,0|1,0,0]=3 58 B10R1.15 COC(=O)C1=CCCCC1 CS-W009174 [0,1,0,1,0,0|0,0,2]=4 59 B10R1.15 COC(=O)[C@@H]1COCCN1 CS-W003693 [0,1,0,1,0,0|2,0,0]=4 60 B10R1.15 COC(=O)[C@H]1CCCNC1 CS-M2670 [0,1,0,1,0,0|1,0,0]=3 61 B10R1.15 O=C(CCl)N1CCCCC1 CS-W021632 [0,1,0,1,0,0|1,0,0]=3 62 B10R1.149 COC(=O)C1CCCC1=O CS-0007582 [0,1,0,1,0,0|1,0,1]=4 63 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 CS-D0303 [0,1,0,1,0,0|1,0,0]=3 64 B10R1.113 CC1CCCC(C(=O)O)N1 CS-0039203 [0,1,0,1,0,0|1,0,0]=3 65 B10R1.140 CCOC(=O)C1CC(=O)C1 CS-W008814 [0,1,0,1,0,0|1,0,1]=4 66 B10R2.62 O=C1CN2CCC1CC2 CS-B0277 [0,0,0,2,0,0|1,0,0]=3 67 B10R2.71 O=C1CC2CCC(C1)N2 CS-M0611 [0,0,0,2,0,0|1,0,0]=3 68 B10R2.351 O=C(O)C1C2COCC21 CS-W019723 [0,0,0,2,0,0|2,0,0]=4