0 B9R1.35 CC1=NN=C(C(=O)O)N1 BB_SC-06064 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 BB_SC-09426 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.35 O=C1C=C(C(=O)O)NN1 BB_SC-04251 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.35 O=C1CCC(C(=O)O)N1 BB_NC-00504 [0,0,0,0,0,0|0,0,0]=0 4 B9R1.35 O=C1NN=C(C(=O)[O-])N1 BB_SC-11428 [0,0,0,0,0,0|2,0,2]=4 5 B8R1.7 NC(=O)C1CCCN1 BB_NC-01913 [1,0,0,0,0,0|1,0,1]=3 6 B8R1.7 O=C(O)C1=CC=CN1 BB_SC-10428 [1,0,0,0,0,0|0,0,3]=4 7 B8R1.7 O=C(O)C1CCCO1 BB_SC-06862 [1,0,0,0,0,0|1,0,1]=3 8 B8R1.7 O=C(O)C1CSCN1 BB_NC-00047 [1,0,0,0,0,0|1,0,1]=3 9 B8R1.7 O=C(O)C1NCCS1 BB_SC-11907 [1,0,0,0,0,0|1,0,1]=3 10 B10R1.58 CN1CC(C(=O)O)CC1=O BB_SC-09463 [0,1,0,0,0,0|2,0,0]=3 11 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 BB_SC-06164 [0,1,0,0,0,0|2,0,0]=3 12 B8R0.8 CCCCC(Br)C(=O)O BB_SC-06728 [0,0,1,0,0,0|2,0,1]=4 13 B8R0.8 CCCCC(N)C(=O)O BB_SC-08743 [0,0,1,0,0,0|1,0,1]=3 14 B8R0.8 CSCCC(N)C(=O)O BB_NC-01175 [0,0,1,0,0,0|2,0,0]=3 15 B8R0.9 COC(=O)CCC(C)=O BB_SC-07229 [0,0,1,0,0,0|3,0,0]=4 16 B8R0.9 NCC(=O)NCC(=O)O BB_NC-03236 [0,0,1,0,0,0|1,0,0]=2 17 B8R0.9 O=C(O)CNC(=O)CCl BB_SC-01509 [0,0,1,0,0,0|1,0,0]=2 18 B8R0.23 CC(=O)NC(C)C(=O)O BB_NC-00510 [0,0,1,0,0,0|0,0,0]=1 19 B8R0.23 C[C@H](NC(N)=O)C(=O)O BB_NC-02469 [0,0,1,0,0,0|1,0,0]=2 20 B8R0.23 O=C(O)CC(S)C(=O)O BB_SC-07196 [0,0,1,0,0,0|3,0,0]=4 21 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O BB_NC-02214 [0,0,1,0,0,0|3,0,0]=4 22 B8R0.28 CN(C)CCCC(=O)O BB_SC-09188 [0,0,1,0,0,0|3,0,0]=4 23 B8R0.28 O=C(O)CNCC(=O)O BB_SC-09398 [0,0,1,0,0,0|2,0,0]=3 24 B8R1.23 O=C1CC(C(=O)O)C1 BB_SC-07711 [0,0,0,0,1,0|1,0,0]=2 25 B10R1.13 O=C1C=CC(C(=O)O)=CN1 BB_NC-01873 [0,0,0,0,0,1|0,0,3]=4 26 B10R1.13 O=C1C=CC(C(=O)O)=NN1 BB_SC-03396 [0,0,0,0,0,1|0,0,3]=4 27 B10R1.13 O=C1CCC(C(=O)O)=NN1 BB_SC-03397 [0,0,0,0,0,1|0,0,1]=2 28 B10R1.113 NC1CCCC(C(=O)O)C1 BB_SC-02645 [0,0,0,0,0,1|2,0,1]=4 29 B7R0.4 NCCCCC(=O)O BB_NC-02189 [1,0,1,0,0,0|0,0,1]=3 30 B7R0.6 CC(=O)CCC(=O)O BB_SC-00144 [1,0,1,0,0,0|1,0,0]=3 31 B7R0.6 CC(=O)CCC(C)=O BB_SC-06911 [1,0,1,0,0,0|2,0,0]=4 32 B7R1.1 OC[C@@H]1CCCN1 BB_SC-12416 [2,0,0,0,0,0|0,0,2]=4 33 B7R1.2 CC1CCC(=O)O1 BB_SC-07058 [2,0,0,0,0,0|1,0,1]=4 34 B7R1.2 O=C1CCC(=O)C1 BB_SC-06396 [2,0,0,0,0,0|1,0,1]=4 35 B7R1.2 O=C1CCC(=O)N1 BB_SC-06814 [2,0,0,0,0,0|0,0,1]=3 36 B7R1.2 O=C1CNC(=O)N1 BB_NC-02287 [2,0,0,0,0,0|1,0,1]=4 37 B7R1.2 O=C1CSC(=O)N1 BB_SC-06863 [2,0,0,0,0,0|1,0,1]=4 38 B9R0.7 CS(=O)CCC(N)C(=O)O BB_SC-12678 [0,1,1,0,0,0|1,0,0]=3 39 B9R0.7 O=C(O)CCC(=O)C(=O)O BB_NC-02331 [0,1,1,0,0,0|1,0,1]=4 40 B9R0.8 [C@H](N)(CCSC)C(=O)OC BB_NC-01736 [0,1,1,0,0,0|2,0,0]=4 41 B9R0.47 [C@@H](N)(CCCCN)C(=O)O BB_NC-02205 [0,1,1,0,0,0|1,0,1]=4 42 B9R0.47 [C@H](N)(CCNCC)C(=O)O BB_NC-01745 [0,1,1,0,0,0|1,0,1]=4 43 B9R0.48 CCOC(=O)CCC(C)=O BB_SC-06808 [0,1,1,0,0,0|2,0,0]=4 44 B9R0.48 COCC(=O)NCC(=O)O BB_SC-10566 [0,1,1,0,0,0|0,0,0]=2 45 B9R0.39 CNC(CC(=O)O)C(=O)O BB_NC-01943 [0,1,1,0,0,0|2,0,0]=4 46 B9R0.53 NN(CC(=O)O)CC(=O)O BB_SC-02560 [0,1,1,0,0,0|2,0,0]=4 47 B9R0.53 O=C(O)CC(=O)CC(=O)O BB_NC-02274 [0,1,1,0,0,0|1,0,1]=4 48 B9R1.11 CNC(=O)[C@@H]1CCCN1 BB_NC-02418 [1,1,0,0,0,0|1,0,1]=4 49 B9R1.11 COC(=O)[C@@H]1CCCN1 BB_NC-02036 [1,1,0,0,0,0|0,0,1]=3 50 B11R1.645 O=C(O)CC1NC(=O)NC1=O BB_NC-01628 [0,1,0,0,0,1|1,0,1]=4 51 B11R1.710 O=C(O)CC1CCS(=O)(=O)C1 BB_SC-08775 [0,1,0,0,0,1|2,0,0]=4 52 B11R1.226 COC(=O)C1CC(=O)N(C)C1 BB_SC-10296 [0,2,0,0,0,0|2,0,0]=4 53 B11R1.489 CC1(C)OC(=O)CC1C(=O)O BB_NC-01756 [0,2,0,0,0,0|2,0,0]=4 54 B9R1.6 O=C(O)C1CCCCN1 BB_SC-11513 [0,0,1,1,0,0|1,0,1]=4 55 B7R0.16 CC(=O)C(Cl)C(C)=O BB_SC-07213 [0,0,1,0,1,0|2,0,0]=4 56 B7R0.16 CC(C(=O)O)C(=O)O BB_SC-06503 [0,0,1,0,1,0|1,0,0]=3 57 B7R1.18 O=C(O)C1CCC1 BB_SC-05515 [1,0,0,0,1,0|0,0,1]=3 58 B7R1.18 O=C(O)C1CNC1 BB_SC-12413 [1,0,0,0,1,0|1,0,1]=4 59 B9R0.55 O=C(O)CCCCC(=O)O BB_SC-07132 [0,0,1,0,0,1|1,0,0]=3 60 B11R1.20 CC(=O)NC1CCC(=O)CC1 BB_SC-11541 [0,0,0,0,0,2|2,0,0]=4 61 B11R1.157 O=C(O)CN1CCNC(=O)C1 BB_SC-06033 [0,0,0,0,0,2|2,0,0]=4