0 B7R0.6 CC(=NNC(=S)N)C Z57128338 [0,0,0,0,0,0|2,1,1]=4 1 B7R0.6 CC(=O)CCC(=O)O Z104477318 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.6 CC(=O)NCC(=O)O Z85886676 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.6 CC(=O)NCC(C)O Z353603952 [0,0,0,0,0,0|1,0,3]=4 4 B7R0.6 CC(O)CCC(=O)O Z838959470 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.6 O=C(O)/C=C/C(=O)O Z57127460 [0,0,0,0,0,0|4,0,0]=4 6 B7R0.6 O=C(O)CCC(=O)O Z57127453 [0,0,0,0,0,0|4,0,0]=4 7 B8R0.9 CS/C(=N/N=C(C)C)/N Z2854344145 [0,1,0,0,0,0|2,0,0]=3 8 B8R1.3 CC1=CN=C(C=C1)O Z1255523405 [0,0,0,1,0,0|2,0,1]=4 9 B8R1.3 CC1=NC=C(C=C1)O Z838078132 [0,0,0,1,0,0|2,0,1]=4 10 B8R1.3 CC1=NN=C(C=C1)Br Z802822146 [0,0,0,1,0,0|2,0,1]=4 11 B8R1.3 CC1=NN=C(C=C1)Cl Z432063474 [0,0,0,1,0,0|2,0,1]=4 12 B8R1.3 CC1=NN=C(C=C1)F Z1251352426 [0,0,0,1,0,0|2,0,1]=4 13 B8R1.3 CC1=NN=C(C=C1)I Z1209436744 [0,0,0,1,0,0|2,0,1]=4 14 B8R1.3 CC1=NN=C(N=C1)N Z1203578846 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.3 CC1=NNC(=O)CC1 Z49527484 [0,0,0,1,0,0|1,0,2]=4 16 B8R1.3 OC1=CN=C(C=C1)O Z1198152559 [0,0,0,1,0,0|1,0,2]=4 17 B6R0.2 C/C(=C/C(=O)O)/I Z1508917269 [0,0,0,0,1,0|3,0,0]=4 18 B6R0.2 C=C(C)CC(=O)O Z295890066 [0,0,0,0,1,0|3,0,0]=4 19 B6R0.2 CC(=CC(=O)O)C Z104480144 [0,0,0,0,1,0|3,0,0]=4 20 B6R0.2 CC(=O)/C=C(/C)\N Z56858245 [0,0,0,0,1,0|2,0,1]=4 21 B6R0.2 O=C(O)CC(=O)O Z57965450 [0,0,0,0,1,0|3,0,0]=4 22 B5R0.1 C/C=C/C(=O)O Z104476026 [2,0,0,0,0,0|2,0,0]=4 23 B7R1.2 CC1=CC(=NN1)C Z50145988 [1,0,0,1,0,0|1,0,1]=4 24 B7R1.2 CC1=CN=C(N1)O Z2630875693 [1,0,0,1,0,0|2,0,0]=4 25 B7R1.2 CC1=CN=C(O1)N Z994267654 [1,0,0,1,0,0|2,0,0]=4 26 B7R1.2 CC1=NN=C(N1)N Z951367902 [1,0,0,1,0,0|2,0,0]=4 27 B7R1.2 CC1=NN=C(O1)N Z56957510 [1,0,0,1,0,0|1,0,0]=3 28 B7R1.2 CC1=NN=C(O1)S Z55879328 [1,0,0,1,0,0|0,1,0]=3 29 B7R1.2 CC1=NN=C(S1)Br Z431956576 [1,0,0,1,0,0|1,1,0]=4 30 B7R1.2 CC1=NN=C(S1)N Z56900928 [1,0,0,1,0,0|1,1,0]=4 31 B7R1.2 CC1=NN=C(S1)O Z1238571569 [1,0,0,1,0,0|0,1,0]=3 32 B7R1.2 CC1=NN=C(S1)S Z104485716 [1,0,0,1,0,0|0,2,0]=4 33 B7R1.2 CC1=NNC(=N1)C Z57161895 [1,0,0,1,0,0|1,0,1]=4 34 B7R1.2 CC1=NNC(=O)C1 Z50145989 [1,0,0,1,0,0|0,0,2]=4 35 B7R1.2 CC1=NNC(=O)O1 Z1198174319 [1,0,0,1,0,0|0,0,2]=4 36 B7R1.2 CC1=NOC(=N1)O Z1258992446 [1,0,0,1,0,0|2,0,0]=4 37 B7R1.2 CN1N=NC(=N1)O Z2299388832 [1,0,0,1,0,0|2,0,0]=4 38 B7R1.2 NC1=NN=C(N1)O Z1869802420 [1,0,0,1,0,0|2,0,0]=4 39 B7R1.2 NC1=NN=C(S1)O Z1824511386 [1,0,0,1,0,0|1,1,0]=4 40 B7R1.3 CC1=NN=CC=C1 Z1245648324 [1,0,0,1,0,0|1,0,1]=4 41 B9R1.35 CC1=NN=C(O1)C(=O)[O-] Z1741978257 [0,0,0,1,0,1|1,0,1]=4 42 B9R1.35 CC1=NN=C(O1)C(C)N Z1416200978 [0,0,0,1,0,1|1,0,1]=4 43 B9R1.35 CC1=NN=C(O1)C(C)O Z1160901940 [0,0,0,1,0,1|0,0,1]=3 44 B9R1.1 CNC1=NN=C(C=C1)C Z802821708 [0,1,0,1,0,0|2,0,0]=4 45 B9R1.1 CSC1=NN=C(C=N1)C Z1255500736 [0,1,0,1,0,0|2,0,0]=4 46 B9R1.69 CC1=C(N=NC(=C1)O)C Z1258992450 [0,1,0,1,0,0|1,0,1]=4 47 B9R1.69 CC1=C(N=NC(=C1)O)O Z2379087837 [0,1,0,1,0,0|0,0,1]=3 48 B9R1.69 CC1=CC(=NN=C1Cl)C Z1255433917 [0,1,0,1,0,0|2,0,0]=4 49 B9R1.69 CC1=NC(=C(C=N1)O)C Z1255426535 [0,1,0,1,0,0|2,0,0]=4 50 B9R1.69 CC1=NC(=C(N=C1)C)O Z1198723414 [0,1,0,1,0,0|2,0,0]=4 51 B9R1.69 CC1=NN=C(C(=C1)Br)C Z3377872794 [0,1,0,1,0,0|2,0,0]=4 52 B9R1.69 OC1=NN=C(C(=C1)Br)O Z1198655184 [0,1,0,1,0,0|0,0,2]=4 53 B5R0.5 CC(=O)C(=O)O Z104495240 [0,0,0,0,2,0|1,0,1]=4 54 B5R0.5 CC(O)C(C)O Z104473532 [0,0,0,0,2,0|0,0,2]=4 55 B5R0.5 O=C(O)C(=O)O Z1741978903 [0,0,0,0,2,0|2,0,0]=4