0 B7R0.13 CC(Br)(CBr)C(=O)O Z104503534 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.13 CC(C)(C#N)C(=O)O Z426041322 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.13 CC(C)(CN)C(=O)N Z431519836 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.13 CCC(C)(Br)C(=O)O Z1198221945 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.13 CCC(C)(C)C(=O)N Z995039228 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.13 CCC(C)(N)C(=O)N Z992716994 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.13 CNC(C)(C)C(=O)N Z2230911127 [0,0,0,0,0,0|4,0,0]=4 7 B7R0.13 NCC(F)(F)C(=O)N Z3006034789 [0,0,0,0,0,0|0,2,2]=4 8 B6R0.3 CC(C#N)C(=O)O Z852759720 [1,0,0,0,0,0|2,0,0]=3 9 B6R0.3 CCC(C)C(=O)N Z270978420 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.3 CCC(O)C(=O)N Z965049008 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.3 CN[C@@H](C)C(=O)N Z2143576643 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.3 COC(C)C(=O)N Z223645218 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.3 N#CC(Br)C(=O)N Z431988688 [1,0,0,0,0,0|0,0,0]=1 14 B6R0.3 NCC(O)C(=O)N Z1889902538 [1,0,0,0,0,0|1,0,2]=4 15 B6R0.7 CC(C)(Br)C(=O)N Z1255458262 [1,0,0,0,0,0|1,0,1]=3 16 B6R0.7 CC(C)(C)C(=O)N Z56895677 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.7 CC(C)(N)C(=O)N Z752371206 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.7 NC(=O)C(Cl)(Cl)Cl Z104473774 [1,0,0,0,0,0|1,2,0]=4 19 B6R0.7 O=C(O)C(F)(F)Br Z328621122 [1,0,0,0,0,0|2,1,0]=4 20 B8R0.13 COC(=O)C(C)(C)C#N Z426040992 [0,1,0,0,0,0|3,0,0]=4 21 B8R0.36 CCC(C)(C#N)C(=O)N Z1203583967 [0,1,0,0,0,0|2,0,0]=3 22 B8R0.36 CCC(C)(C#N)C(=O)O Z1205494421 [0,1,0,0,0,0|3,0,0]=4 23 B8R1.63 N#CC1(CC1)C(=O)O Z825761122 [0,0,0,1,0,0|3,0,0]=4 24 B8R0.34 C#CC(C)(C)OC(=O)N Z57157184 [0,0,0,0,0,1|3,0,0]=4 25 B8R0.34 CC(=O)NC(C)(C)C#N Z212046252 [0,0,0,0,0,1|3,0,0]=4 26 B8R0.34 CC(C)(C#N)CC(=O)O Z1205494237 [0,0,0,0,0,1|3,0,0]=4 27 B5R0.1 C#CCC(=O)O Z295890060 [2,0,0,0,0,0|2,0,0]=4 28 B5R0.1 C/C(=N/C#N)/N Z2573128414 [2,0,0,0,0,0|2,0,0]=4 29 B5R0.1 CC#CC(=O)N Z1203579284 [2,0,0,0,0,0|1,0,1]=4 30 B5R0.1 CC(N)CC#N Z1267773800 [2,0,0,0,0,0|1,0,1]=4 31 B5R0.1 CCCC(=O)N Z33546461 [2,0,0,0,0,0|1,0,1]=4 32 B5R0.1 CNCC(=O)N Z415678308 [2,0,0,0,0,0|2,0,0]=4 33 B5R0.1 COCC(=O)N Z33546778 [2,0,0,0,0,0|2,0,0]=4 34 B5R0.1 CS(=O)CC#N Z1198176972 [2,0,0,0,0,0|2,0,0]=4 35 B5R0.1 CSCC(=O)N Z33545668 [2,0,0,0,0,0|2,0,0]=4 36 B5R0.1 N#CCC(=N)N Z1198223505 [2,0,0,0,0,0|1,0,0]=3 37 B5R0.1 N#CCC(=O)N Z56896153 [2,0,0,0,0,0|0,0,0]=2 38 B5R0.1 N#CCC(=O)O Z104476112 [2,0,0,0,0,0|1,0,0]=3 39 B5R0.1 N#CCC(=S)N Z57046941 [2,0,0,0,0,0|0,1,0]=3 40 B5R0.1 N#CNC(=N)N Z203045078 [2,0,0,0,0,0|2,0,0]=4 41 B5R0.1 NC(=O)CCO Z431951940 [2,0,0,0,0,0|1,0,1]=4 42 B5R0.1 NCCC(=O)N Z415728050 [2,0,0,0,0,0|0,0,2]=4 43 B5R0.5 CC(Br)C(=O)O Z57127555 [2,0,0,0,0,0|1,0,1]=4 44 B5R0.5 CC(C)C(=O)N Z57046209 [2,0,0,0,0,0|1,0,1]=4 45 B5R0.5 CC(Cl)C(=O)N Z56924427 [2,0,0,0,0,0|0,1,1]=4 46 B5R0.5 CC(N)C(=O)N Z54749436 [2,0,0,0,0,0|1,0,1]=4 47 B5R0.5 CC(O)C(=O)N Z57206008 [2,0,0,0,0,0|1,0,1]=4 48 B5R0.5 C[C@H](N)C(=O)N Z359371050 [2,0,0,0,0,0|1,0,1]=4 49 B5R0.5 NC(=O)C(F)F Z33546481 [2,0,0,0,0,0|0,2,0]=4 50 B5R0.4 CC(C)(N)C#N Z57176535 [2,0,0,0,0,0|2,0,0]=4 51 B7R0.5 C#CCC(N)C(=O)N Z1203582923 [1,1,0,0,0,0|2,0,0]=4 52 B7R0.10 CCC(=O)C(C)C#N Z385381340 [1,1,0,0,0,0|2,0,0]=4 53 B7R0.15 CCC(C#N)C(=O)O Z1117899421 [1,1,0,0,0,0|2,0,0]=4 54 B7R1.29 N#CC1(CC1)C=O Z1767997246 [1,0,0,1,0,0|2,0,0]=4 55 B9R1.202 CC1(CCNC1=O)C#N Z1203748528 [0,1,0,1,0,0|2,0,0]=4 56 B7R0.2 CC(=O)CC(C)C#N Z1258995681 [1,0,0,0,0,1|2,0,0]=4 57 B7R0.2 CC(C#N)NC(=O)N Z756364694 [1,0,0,0,0,1|1,0,0]=3