0 B5R0.3 C=C[C@H](N)CO CS-0088065 [0,0,0,0,0,0|3,0,0]=3 1 B5R0.3 CC[C@@H](N)CO CS-W020734 [0,0,0,0,0,0|1,0,2]=3 2 B5R0.3 CC[C@H](N)CO CS-W013745 [0,0,0,0,0,0|1,0,2]=3 3 B5R0.3 NC(CO)CO CS-W007357 [0,0,0,0,0,0|2,0,2]=4 4 B4R0.1 CC(=O)NN CS-D1403 [1,0,0,0,0,0|2,0,1]=4 5 B4R0.1 CC(N)CO CS-W018531 [1,0,0,0,0,0|2,0,0]=3 6 B4R0.1 CC(O)CBr CS-0063182 [1,0,0,0,0,0|1,0,1]=3 7 B4R0.1 CCC(=N)O CS-W016688 [1,0,0,0,0,0|1,0,2]=4 8 B4R0.1 CC[C@H](C)N CS-0084847 [1,0,0,0,0,0|1,0,0]=2 9 B4R0.1 NCC(N)=O CS-W019695 [1,0,0,0,0,0|2,0,1]=4 10 B4R0.2 BrCCCBr CS-W020641 [1,0,0,0,0,0|2,0,1]=4 11 B4R0.2 C=CCON CS-0010194 [1,0,0,0,0,0|3,0,0]=4 12 B4R0.2 NCCCBr CS-W008585 [1,0,0,0,0,0|2,0,1]=4 13 B4R0.2 NCCCCl CS-0015792 [1,0,0,0,0,0|2,0,1]=4 14 B4R0.2 NCCCO CS-W020089 [1,0,0,0,0,0|1,0,2]=4 15 B6R0.1 CCC[C@H](N)CO CS-M2256 [0,1,0,0,0,0|1,0,2]=4 16 B6R0.1 CCO\C(C)=N\O CS-W013688 [0,1,0,0,0,0|1,0,2]=4 17 B6R0.1 COC(C)CCO CS-W013686 [0,1,0,0,0,0|2,0,0]=3 18 B6R0.3 CC(=O)\C(C)=N\O CS-0015129 [0,1,0,0,0,0|2,0,1]=4 19 B6R0.3 COC(C)C(=O)O CS-W004806 [0,1,0,0,0,0|1,0,0]=2 20 B6R0.3 NC(=O)C(Br)CBr CS-0013982 [0,1,0,0,0,0|2,0,0]=3 21 B6R0.9 CCN(C=O)CC CS-W009551 [0,1,0,0,0,0|1,0,0]=2 22 B6R0.9 COC(CBr)OC CS-W018536 [0,1,0,0,0,0|2,0,1]=4 23 B6R1.2 BrC1CCNC1 CS-W005728 [0,0,0,1,0,0|2,0,1]=4 24 B6R1.2 CC1CCNC1 CS-W021968 [0,0,0,1,0,0|1,0,1]=3 25 B6R1.2 NC1CCOC1 CS-D1564 [0,0,0,1,0,0|1,0,2]=4 26 B6R1.2 O[C@H]1CCNC1 CS-W008801 [0,0,0,1,0,0|2,0,1]=4 27 B6R1.6 BrCC1CCC1 CS-0015296 [0,0,0,1,0,0|1,0,1]=3 28 B6R1.6 BrCC1COC1 CS-W018850 [0,0,0,1,0,0|1,0,2]=4 29 B6R1.6 CNC1CNC1 CS-0043910 [0,0,0,1,0,0|2,0,1]=4 30 B6R1.6 CNC1COC1 CS-0040193 [0,0,0,1,0,0|1,0,2]=4 31 B6R1.6 OCC1CNC1 CS-D1756 [0,0,0,1,0,0|1,0,2]=4 32 B6R1.7 CC1(CCl)CO1 CS-0089843 [0,0,0,1,0,0|1,0,2]=4 33 B3R0.1 CCCN CS-0079898 [2,0,0,0,0,0|1,0,0]=3 34 B3R0.1 NCCCl CS-W013617 [2,0,0,0,0,0|2,0,0]=4 35 B3R0.1 NCCF CS-W007788 [2,0,0,0,0,0|2,0,0]=4 36 B3R0.2 CC(=O)O CS-W019776 [2,0,0,0,0,0|1,0,1]=4 37 B3R0.2 CC(=O)[O-] CS-0082496 [2,0,0,0,0,0|1,0,1]=4 38 B3R0.2 CC(=O)[O-] CS-0084525 [2,0,0,0,0,0|1,0,1]=4 39 B3R0.2 CC(=O)[O-] CS-W002072 [2,0,0,0,0,0|1,0,1]=4 40 B3R0.2 CC(=O)[O-] CS-W004700 [2,0,0,0,0,0|1,0,1]=4 41 B3R0.2 CC(=O)[O-] CS-W020594 [2,0,0,0,0,0|1,0,1]=4 42 B3R0.2 [ZrH](C)(C)Cl CS-W020093 [2,0,0,0,0,0|2,0,0]=4 43 B5R0.1 CC(=O)CCO CS-0044370 [1,1,0,0,0,0|0,0,1]=3 44 B5R0.1 CC(N)CC#N CS-W020282 [1,1,0,0,0,0|1,0,1]=4 45 B5R0.1 CC(N)CCO CS-W004841 [1,1,0,0,0,0|1,0,0]=3 46 B5R0.1 CCOC(C)=N CS-W008601 [1,1,0,0,0,0|1,0,1]=4 47 B5R0.1 COC[C@@H](C)O CS-0019059 [1,1,0,0,0,0|0,0,1]=3 48 B5R0.4 CC(C)(N)C#N CS-W005215 [1,1,0,0,0,0|1,0,1]=4 49 B5R0.4 CC(C)(N)CO CS-W013743 [1,1,0,0,0,0|0,0,2]=4 50 B5R0.4 CC(C)(O)CN CS-W008799 [1,1,0,0,0,0|1,0,1]=4 51 B5R0.4 CNS(C)(=O)=O CS-W008054 [1,1,0,0,0,0|2,0,0]=4 52 B5R0.4 COS(C)(=O)=O CS-W004702 [1,1,0,0,0,0|2,0,0]=4 53 B5R0.5 CC(C)C(N)=O CS-W019979 [1,1,0,0,0,0|0,0,0]=2 54 B5R0.5 CC(N)C(=O)O CS-0022544 [1,1,0,0,0,0|1,0,0]=3 55 B5R0.5 C[C@@H](O)C(N)=O CS-W016674 [1,1,0,0,0,0|1,0,0]=3 56 B5R0.5 NC(=O)C(F)F CS-0109914 [1,1,0,0,0,0|2,0,0]=4 57 B5R0.2 BrCCCCBr CS-W020631 [1,1,0,0,0,0|1,0,1]=4 58 B5R0.2 C#CCCCCl CS-W009550 [1,1,0,0,0,0|1,0,1]=4 59 B5R0.2 C=CCCCO CS-W011355 [1,1,0,0,0,0|1,0,0]=3 60 B5R0.2 COCCC#N CS-0030563 [1,1,0,0,0,0|1,0,1]=4 61 B5R0.2 ICCCCI CS-W004871 [1,1,0,0,0,0|1,0,1]=4 62 B5R0.2 N#CCCCCl CS-D1161 [1,1,0,0,0,0|1,0,1]=4 63 B7R0.2 CCC(=O)CC(C)=O CS-W023089 [0,2,0,0,0,0|1,0,1]=4 64 B7R0.5 C#CC[C@H](N)C(=O)O CS-0101207 [0,2,0,0,0,0|1,0,1]=4 65 B7R0.5 CCOC(=O)C(N)=O CS-0008213 [0,2,0,0,0,0|1,0,1]=4 66 B7R0.5 NC(CCO)C(=O)O CS-W013586 [0,2,0,0,0,0|1,0,0]=3 67 B7R0.5 [C@H](N)(CC=C)C(=O)O CS-W013622 [0,2,0,0,0,0|1,0,1]=4 68 B7R0.10 CCC(Br)C(=O)OC CS-W017174 [0,2,0,0,0,0|1,0,0]=3 69 B7R0.10 CC[C@H](N)C(=O)OC CS-0031391 [0,2,0,0,0,0|1,0,0]=3 70 B7R0.10 COC(=O)[C@@H](N)CO CS-B1301 [0,2,0,0,0,0|2,0,0]=4 71 B7R0.10 COC(=O)[C@H](N)CCl CS-W017536 [0,2,0,0,0,0|2,0,0]=4 72 B7R0.12 COC(CCBr)OC CS-W023200 [0,2,0,0,0,0|2,0,0]=4 73 B7R0.13 C#CC(C)(C)C(=O)O CS-W018866 [0,2,0,0,0,0|0,0,2]=4 74 B7R0.13 CC(C)(CN)C(N)=O CS-W003343 [0,2,0,0,0,0|1,0,0]=3 75 B7R0.13 CC(C)(CO)C(=O)O CS-W011224 [0,2,0,0,0,0|1,0,0]=3 76 B7R0.15 CCN(CC)C(=S)[S-] CS-B1734 [0,2,0,0,0,0|1,1,0]=4 77 B7R0.16 CC(C)[C@H](N)C(=N)O CS-W008135 [0,2,0,0,0,0|1,0,1]=4 78 B5R1.2 CC1CNC1 CS-W019342 [1,0,0,1,0,0|1,0,1]=4 79 B5R1.3 ClC[C@@H]1CO1 CS-0015935 [1,0,0,1,0,0|1,0,1]=4 80 B5R1.3 N#CC1CC1 CS-D1406 [1,0,0,1,0,0|1,0,1]=4 81 B7R1.1 COC1CCNC1 CS-W004880 [0,1,0,1,0,0|1,0,1]=4 82 B7R1.1 NCC1CCCN1 CS-0019253 [0,1,0,1,0,0|1,0,1]=4 83 B7R1.1 NCC1CCOC1 CS-W004787 [0,1,0,1,0,0|0,0,2]=4 84 B7R1.1 OCC1CCOC1 CS-D1159 [0,1,0,1,0,0|0,0,2]=4 85 B7R1.1 OC[C@@H]1CCCO1 CS-0031452 [0,1,0,1,0,0|0,0,2]=4 86 B7R1.1 OC[C@@H]1CCNC1 CS-0005415 [0,1,0,1,0,0|0,0,2]=4 87 B7R1.2 N[C@H]1COC(=O)C1 CS-B1346 [0,1,0,1,0,0|2,0,0]=4 88 B7R1.3 C[C@@H]1CNCCN1 CS-W020739 [0,1,0,1,0,0|1,0,1]=4 89 B7R1.3 C[C@H]1CNCCO1 CS-W020614 [0,1,0,1,0,0|1,0,1]=4 90 B7R1.3 [C@H]1(C)CNCCN1 CS-W011321 [0,1,0,1,0,0|1,0,1]=4 91 B7R1.4 NC1CCNC1=O CS-0113495 [0,1,0,1,0,0|1,0,0]=3 92 B7R1.4 NN1CCCC1=O CS-D0019 [0,1,0,1,0,0|2,0,0]=4 93 B7R1.4 [C@@H]1(N)CCOC1=O CS-W011054 [0,1,0,1,0,0|1,0,0]=3 94 B7R1.4 [C@H]1(N)CCOC1=O CS-W016516 [0,1,0,1,0,0|1,0,0]=3 95 B7R1.12 O=C(O)C1CC1F CS-W006378 [0,1,0,1,0,0|1,0,0]=3 96 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F CS-0029963 [0,1,0,1,0,0|1,0,0]=3 97 B7R1.12 O=C(O)[C@H]1C[C@H]1F CS-0031485 [0,1,0,1,0,0|1,0,0]=3 98 B7R1.18 O=C(O)C1CNC1 CS-W019846 [0,1,0,1,0,0|1,0,0]=3 99 B7R1.18 O=C(O)C1COC1 CS-B1344 [0,1,0,1,0,0|1,0,0]=3 100 B7R1.14 CC1(C)CCCN1 CS-W021476 [0,1,0,1,0,0|2,0,0]=4