0 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0035190 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.2 CC(=O)\C=C(\C)[O-] CS-W020773 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.2 C\C(O)=N\C(=N)N CS-W007823 [0,0,0,0,0,0|4,0,0]=4 3 B6R0.2 N=C(N)CC(N)=O CS-W018503 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.2 [C@H](C)(N)CC(=O)O CS-0044025 [0,0,0,0,0,0|1,0,2]=3 5 B6R0.2 [C@H](C)(N)CC(=O)O CS-W005235 [0,0,0,0,0,0|1,0,2]=3 6 B5R0.1 CC(=O)CCO CS-0044370 [1,0,0,0,0,0|1,0,2]=4 7 B5R0.1 CC(=O)\C=N\O CS-0047592 [1,0,0,0,0,0|2,0,0]=3 8 B5R0.1 CNCC(=N)O CS-W011178 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.2 CCC(=O)CC(C)=O CS-W023089 [0,1,0,0,0,0|2,0,1]=4 10 B7R0.2 COC(=O)CC(N)=O CS-W022821 [0,1,0,0,0,0|2,0,1]=4 11 B7R0.2 COC(=O)C[C@@H](C)N CS-0059282 [0,1,0,0,0,0|1,0,2]=4 12 B7R0.2 COC(=O)\C=C(\C)N CS-W016602 [0,1,0,0,0,0|1,0,0]=2 13 B7R0.9 CC(C)(C)OC(N)=O CS-D1170 [0,1,0,0,0,0|2,0,1]=4 14 B7R0.16 CC(C)[C@H](N)C(=N)O CS-W008135 [0,1,0,0,0,0|1,0,2]=4 15 B7R1.2 CC1=CC(=O)NN1 CS-W013725 [0,0,0,1,0,0|2,0,0]=3 16 B7R1.2 CC1=CC(I)=NN1 CS-W021944 [0,0,0,1,0,0|3,0,0]=4 17 B7R1.2 CC1=CC(O)=NO1 CS-W011330 [0,0,0,1,0,0|2,0,0]=3 18 B7R1.2 CC1=NN=C(O)C1 CS-W013724 [0,0,0,1,0,0|2,0,1]=4 19 B7R1.2 CC1=NOC(N)=C1 CS-M0240 [0,0,0,1,0,0|2,0,0]=3 20 B7R1.2 CC1=NSC(N)=C1 CS-M1245 [0,0,0,1,0,0|2,1,0]=4 21 B7R1.2 N[C@H]1COC(=O)C1 CS-B1346 [0,0,0,1,0,0|1,0,2]=4 22 B7R1.2 O=C1C=C(Cl)SN1 CS-B1826 [0,0,0,1,0,0|3,0,0]=4 23 B7R1.2 O=C1CNC(=O)N1 CS-W011328 [0,0,0,1,0,0|3,0,0]=4 24 B7R1.2 O=C1CNC(=O)O1 CS-W011320 [0,0,0,1,0,0|3,0,0]=4 25 B7R1.2 O=C1CSC(=O)N1 CS-W019917 [0,0,0,1,0,0|2,1,0]=4 26 B7R1.12 O=C(O)C1CC1F CS-W006378 [0,0,0,1,0,0|1,0,2]=4 27 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F CS-0029963 [0,0,0,1,0,0|1,0,2]=4 28 B7R1.12 O=C(O)[C@H]1C[C@H]1F CS-0031485 [0,0,0,1,0,0|1,0,2]=4 29 B5R0.5 CC(C)C(N)=O CS-W019979 [0,0,0,0,1,0|1,0,1]=3 30 B5R0.5 CC(N)C(=O)O CS-0022544 [0,0,0,0,1,0|1,0,1]=3 31 B5R0.5 C[C@@H](O)C(N)=O CS-W016674 [0,0,0,0,1,0|2,0,1]=4 32 B5R0.5 O=C([O-])C(=O)[O-] CS-W022571 [0,0,0,0,1,0|2,0,1]=4 33 B7R0.6 CC(=O)CCC(C)=O CS-D1203 [0,0,0,0,0,1|2,0,1]=4 34 B7R0.6 CN(C)CCC(=O)O CS-W007826 [0,0,0,0,0,1|1,0,1]=3 35 B7R0.6 CN(C)\C=C\[N+](=O)[O-] CS-D1168 [0,0,0,0,0,1|2,0,1]=4 36 B7R0.6 NC(=O)CCC(=O)O CS-0094544 [0,0,0,0,0,1|2,0,1]=4 37 B4R0.1 CCC(=N)O CS-W016688 [2,0,0,0,0,0|1,0,1]=4 38 B6R0.3 CC(=O)\C(C)=N\O CS-0015129 [1,1,0,0,0,0|2,0,0]=4 39 B6R0.3 COC(C)C(=O)O CS-W004806 [1,1,0,0,0,0|1,0,1]=4 40 B6R0.4 COCCC(=O)O CS-W009112 [1,1,0,0,0,0|0,0,2]=4 41 B6R0.7 CC(C)(C)C(N)=O CS-W021470 [0,1,0,0,1,0|1,0,1]=4 42 B6R0.7 CC(C)(F)C(=O)O CS-0022383 [0,1,0,0,1,0|0,0,1]=3 43 B8R0.9 COC(=O)CCC(=O)O CS-W011096 [0,1,0,0,0,1|1,0,1]=4 44 B8R0.23 CC(=O)N[C@H](C)C(=O)O CS-W013429 [0,1,0,0,0,1|1,0,1]=4 45 B8R0.23 CC(C)CC(Br)C(=O)O CS-W021616 [0,1,0,0,0,1|0,0,2]=4 46 B8R0.23 CC(C)C[C@@H](O)C(=O)O CS-0000170 [0,1,0,0,0,1|0,0,2]=4 47 B8R0.2 COC(=O)[C@H](N)C(C)C CS-0012693 [0,2,0,0,0,0|0,0,2]=4 48 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O CS-0043555 [0,2,0,0,0,0|0,0,2]=4 49 B8R0.2 [C@@H](N)(C(=O)OC)C(C)C CS-W010793 [0,2,0,0,0,0|0,0,2]=4 50 B8R0.5 CC(C)OC(=O)OCCl CS-W016293 [0,2,0,0,0,0|1,0,1]=4 51 B8R0.5 CCOC(=O)\C=C(\C)N CS-W011120 [0,2,0,0,0,0|1,0,0]=3 52 B8R0.19 COC(=O)CC(=O)OC CS-0019394 [0,2,0,0,0,0|1,0,1]=4 53 B8R0.27 CC(C)(C)[C@H](N)C(=O)O CS-D0917 [0,2,0,0,0,0|0,0,2]=4 54 B8R0.27 CC(C)(S)C(N)C(=O)O CS-W018173 [0,2,0,0,0,0|0,0,2]=4 55 B6R1.2 CC1=CNC=C1 CS-W016682 [1,0,0,1,0,0|1,0,1]=4 56 B6R1.2 O=C1OCCO1 CS-0017611 [1,0,0,1,0,0|1,0,1]=4 57 B6R1.11 O=C(O)C1CC1 CS-W018339 [1,0,0,1,0,0|0,0,2]=4 58 B8R1.23 O=C1CC(C(=O)O)C1 CS-D1519 [0,0,0,1,0,1|1,0,1]=4 59 B8R1.1 O=CC1=CC(Br)=NO1 CS-W021887 [0,1,0,1,0,0|2,0,0]=4 60 B8R1.4 CC1=CC(O)=CN=C1 CS-W011284 [0,1,0,1,0,0|1,0,1]=4 61 B8R1.4 CC1=NC=CC(O)=C1 CS-W018581 [0,1,0,1,0,0|1,0,1]=4 62 B8R1.18 CC1=C(C)OC(=O)O1 CS-W013644 [0,1,0,1,0,0|1,0,0]=3 63 B8R1.18 CC1=NN(C)C(O)=C1 CS-W019386 [0,1,0,1,0,0|2,0,0]=4 64 B8R1.18 O=C1C=C(Br)C(=O)O1 CS-W021883 [0,1,0,1,0,0|1,0,1]=4 65 B8R1.50 CC1=NOC(C)=C1I CS-W020086 [0,1,0,1,0,0|2,0,0]=4 66 B8R0.28 CC(=O)CCC=C(C)C CS-W011151 [0,0,0,0,0,2|1,0,0]=3 67 B8R0.28 CN(C)CCCC(=O)O CS-W007989 [0,0,0,0,0,2|1,0,1]=4 68 B8R0.28 CN(C)C\C=C\C(=O)O CS-D1794 [0,0,0,0,0,2|1,0,0]=3