0 B8R1.7 O=C(O)C1=NC=NN1 T1371 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.7 O=C(O)c1ccco1 T5544 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.7 O=C(O)c1ccoc1 T5277 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.7 O=C(O)c1cnsc1 T4675 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.7 O=[N+]([O-])C1=NC=CN1 T6402 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.11 COC(=O)c1ccco1 T8022 [0,1,0,0,0,0|1,0,0]=2 6 B9R1.41 NC(=O)C1=C(O)NC=N1 T19214 [0,1,0,0,0,0|2,0,1]=4 7 B7R0.4 C\C=C\C=C\C(=O)O T8019 [0,0,1,0,0,0|2,0,0]=3 8 B7R0.4 C\C=C\C=C\C(=O)[O-] T4807 [0,0,1,0,0,0|2,0,0]=3 9 B9R1.6 CC(=O)c1ccccc1 T7446 [0,0,0,0,0,1|1,0,0]=2 10 B9R1.6 CC(=O)c1cnccn1 T5596 [0,0,0,0,0,1|0,0,1]=2 11 B9R1.6 C[C@H](O)c1ccccc1 T4784 [0,0,0,0,0,1|1,0,2]=4 12 B9R1.6 N=C(N)c1ccccc1 T8362 [0,0,0,0,0,1|3,0,0]=4 13 B9R1.6 NC(=O)C1=CC=CC=C1 T6780 [0,0,0,0,0,1|2,0,0]=3 14 B9R1.6 NC(=O)C1=CC=CC=N1 T6942 [0,0,0,0,0,1|1,0,1]=3 15 B9R1.6 NC(=O)C1=CC=NC=C1 T0552 [0,0,0,0,0,1|2,0,0]=3 16 B9R1.6 NC(=O)C1=CN=CC=C1 T0934 [0,0,0,0,0,1|1,0,1]=3 17 B9R1.6 NC(=O)c1cnccn1 T1426 [0,0,0,0,0,1|1,0,1]=3 18 B9R1.6 NC(=S)C1=CC=NC=C1 T1365 [0,0,0,0,0,1|2,1,0]=4 19 B9R1.6 O=C(O)C1=CCCNC1 T7557 [0,0,0,0,0,1|1,0,2]=4 20 B9R1.6 O=C(O)C1=CCCNC1 TN1717 [0,0,0,0,0,1|1,0,2]=4 21 B9R1.6 O=C(O)c1ccccc1 T0833 [0,0,0,0,0,1|2,0,0]=3 22 B9R1.6 O=C(O)c1ccccn1 T4850 [0,0,0,0,0,1|1,0,1]=3 23 B9R1.6 O=C(O)c1cccnc1 T0879 [0,0,0,0,0,1|1,0,1]=3 24 B9R1.6 O=C(O)c1ccncc1 Fr13756 [0,0,0,0,0,1|2,0,0]=3 25 B9R1.6 O=C(O)c1cnccn1 T0569 [0,0,0,0,0,1|1,0,1]=3 26 B9R1.6 O=C([O-])c1ccccc1 T8124 [0,0,0,0,0,1|2,0,0]=3 27 B9R1.6 O=C([O-])c1ccccn1 T4575 [0,0,0,0,0,1|1,0,1]=3 28 B6R0.4 NC\C=C\C(=O)O T23414 [1,0,1,0,0,0|1,0,1]=4 29 B6R1.2 C[C-]1C=CC=C1 T20558 [2,0,0,0,0,0|1,0,1]=4 30 B8R0.28 C(SC(=N)N)=CC(=O)O T23556 [0,1,1,0,0,0|2,0,0]=4 31 B8R1.1 CC1=CC=C(C=O)O1 TCP2934 [1,1,0,0,0,0|1,0,0]=3 32 B8R1.11 CSc1nccn1C T8612 [1,1,0,0,0,0|2,0,0]=4 33 B10R1.13 CC(=O)C1=CC=C(O)C=C1 T3750 [0,1,0,0,0,1|1,0,0]=3 34 B10R1.13 Cc1ccc(C(=O)O)cc1 Fr14438 [0,1,0,0,0,1|2,0,0]=4 35 B10R1.13 NC(=O)c1ccc(N)nc1 T7545 [0,1,0,0,0,1|1,0,1]=4 36 B10R1.13 Nc1ccc(C(=O)O)cc1 T1311 [0,1,0,0,0,1|2,0,0]=4 37 B10R1.13 Nc1ccc(C(=O)O)cn1 T7919 [0,1,0,0,0,1|1,0,1]=4 38 B10R1.13 O=C(O)C1=CC=C(O)C=C1 T2989 [0,1,0,0,0,1|2,0,0]=4 39 B10R1.13 O=C(O)C1=NC=C(O)N=C1 T10171 [0,1,0,0,0,1|1,0,1]=4 40 B10R1.13 O=C(O)c1ccc(O)nc1 T4816 [0,1,0,0,0,1|1,0,1]=4 41 B10R1.13 O=C1C=CC(C(=O)O)=CO1 T7962 [0,1,0,0,0,1|2,0,0]=4 42 B10R1.15 C=CC(=O)C1=CC=CC=C1 T20607 [0,1,0,0,0,1|1,0,1]=4 43 B10R1.15 CNC(=O)c1cccnc1 T5233 [0,1,0,0,0,1|0,0,1]=3 44 B10R1.15 COC(=O)C1=CCCNC1 T5805 [0,1,0,0,0,1|0,0,2]=4 45 B10R1.15 COC(=O)c1cccnc1 T5562 [0,1,0,0,0,1|0,0,1]=3 46 B10R1.15 NNC(=O)C1=CC=CC=N1 T1374 [0,1,0,0,0,1|1,0,1]=4 47 B10R1.15 NNC(=O)c1cccnc1 T0664 [0,1,0,0,0,1|1,0,1]=4 48 B10R1.15 NNC(=O)c1ccncc1 T0972 [0,1,0,0,0,1|2,0,0]=4 49 B10R1.61 CC(=O)C1=CC=CC=C1O TCS1856 [0,1,0,0,0,1|1,0,0]=3 50 B10R1.61 Cc1ccccc1C(=O)O T8068 [0,1,0,0,0,1|2,0,0]=4 51 B10R1.61 NC(=O)C1=CC=CC=C1O T0004 [0,1,0,0,0,1|2,0,0]=4 52 B10R1.61 O=C(O)C1=NC=CC=C1S T12929 [0,1,0,0,0,1|1,0,1]=4 53 B10R1.61 O=C(O)c1ccccc1O T0649 [0,1,0,0,0,1|2,0,0]=4 54 B10R1.61 O=C(O)c1ncccc1O T5986 [0,1,0,0,0,1|1,0,1]=4 55 B10R1.61 O=C([O-])c1ccccc1O T0335 [0,1,0,0,0,1|2,0,0]=4 56 B10R1.61 O=C([O-])c1ccccc1[O-] T0424 [0,1,0,0,0,1|2,0,0]=4 57 B10R1.113 C[n+]1cccc(C(=O)O)c1 T2927 [0,1,0,0,0,1|1,0,1]=4 58 B10R1.113 C[n+]1cccc(C(=O)[O-])c1 T2887 [0,1,0,0,0,1|1,0,1]=4 59 B10R1.113 C[n+]1cccc(C(N)=O)c1 T4853 [0,1,0,0,0,1|1,0,1]=4 60 B10R1.113 Cc1cccc(C(=O)Cl)c1 T7850 [0,1,0,0,0,1|2,0,0]=4 61 B10R1.113 NC(=O)c1ccc[n+]([O-])c1 T0617 [0,1,0,0,0,1|1,0,1]=4 62 B10R1.113 NC(=O)c1cccc(N)c1 T6329 [0,1,0,0,0,1|2,0,0]=4 63 B10R1.113 O=C(O)c1ccc[n+]([O-])c1 T0067 [0,1,0,0,0,1|1,0,1]=4 64 B10R1.113 O=C(O)c1cccc(O)c1 T4840 [0,1,0,0,0,1|2,0,0]=4 65 B10R1.31 O=C(O)c1ccc(CO)o1 T5278 [0,2,0,0,0,0|2,0,0]=4 66 B8R1.2 O=CC1=CC=CC=C1 TWO2659 [1,0,0,0,0,1|1,0,0]=3 67 B10R1.18 CC(=O)Oc1ccccc1 T0650 [0,0,0,0,0,2|1,0,0]=3 68 B10R1.18 O=C(O)Cc1cccnc1 T1366 [0,0,0,0,0,2|1,0,1]=4 69 B10R1.66 CC(=O)OCc1ccco1 T8088 [0,0,0,0,0,2|1,0,0]=3 70 B10R1.66 O=C(O)\C=C/C1=CN=CN1 T10824 [0,0,0,0,0,2|2,0,0]=4