smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cn1c(N)nc(NCC=O)c([N+](=O)[O-])c1=O	39111001	OPYLJLAJVLGJNV-UHFFFAOYSA-N	227.180	-1.119	30	30	BAEC	
CCn1c(=C(C#N)C#N)sc(=CN)c1=O	255982711	KDERGSUQJZJGIO-UHFFFAOYSA-N	220.257	-1.176	30	30	BAEC	
O=S(=O)(O)OCC[S+](CCO)CCO	33609070	VWPSHZWVILOVOK-UHFFFAOYSA-O	247.314	-1.591	30	30	BAEC	
C#Cc1c(C#N)ncn1[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	106382896	OAMMFSMFVAEFOI-CHWFTXMASA-N	249.226	-1.652	30	30	BAEC	in-vitro
CON=Cc1c(O)n(C)c(=O)n(C)c1=O	254382379	XZCVBBAUZNVDJZ-UHFFFAOYSA-N	213.193	-1.230	30	30	BAEC	
CC(=O)NC[C@H]1N[C@@H](CC#N)[C@@H](O)[C@H]1O	96331725	QGCAKJXKXSRUJY-KDXUFGMBSA-N	213.237	-1.902	30	30	BAEC	
NCC(=O)NCC(=O)N[C@@H](CS)C(=O)O	4899754	IDOGEHIWMJMAHT-BYPYZUCNSA-N	235.265	-2.440	30	30	BAEC	
CS(=O)(=O)OC1CS(=O)(=O)C1	575442020	IPVVNFKNEMBMRE-UHFFFAOYSA-N	200.237	-1.240	30	30	BAEC	
C[C@@H](N)C(=O)N[C@@H](CO)[C@H](O)[C@@H](N)C=O	95857576	KBSVAZCLQHOLKP-JRTVQGFMSA-N	219.241	-3.302	30	30	BAEC	
OCC(CO)(COC[C@@H]1CO1)COC[C@@H]1CO1	33985911	FGPFIXISGWXSCE-NXEZZACHSA-N	248.275	-1.212	30	30	BAEC	
NC(N)=NC(=O)N[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O	77312911	KSNSQOVBNYYHLW-KKQCNMDGSA-N	234.212	-3.592	30	30	BAEC	in-vitro
NNC(=NS(=O)(=O)c1ccccc1)NN	35606086	IDFDUKXKTJPISY-UHFFFAOYSA-N	229.265	-1.342	30	30	BAEC	
NC(N)=NC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	5438040	KSNSQOVBNYYHLW-SQOUGZDYSA-N	234.212	-3.592	30	30	BAEC	
NC(N)=NC(=O)NCCC[C@H](N)C(=O)O	5411003	XUQOUAIMZATHGP-BYPYZUCNSA-N	217.229	-1.839	30	30	BAEC	biogenic
CC1(C)[C@H](N)C(=O)N1[C@]1(S(=O)(=O)O)CO1	2265362268	GEBANFHOGZPPBY-CLZZGJSISA-N	236.249	-1.494	30	30	BAEC	
COC[C@@H](O)[C@@H](OC)[C@H](OC)[C@@H](O)C=O	3649975	OHWRFXMAKSGOGG-JQCXWYLXSA-N	222.237	-1.417	30	30	BAEC	
O=C1CC2=C(C(=O)C1=O)C(=O)C(=O)C(=O)N2	100098243	MSZDIQIUJVLUQW-UHFFFAOYSA-N	221.124	-2.381	30	30	BAEC	
CS(=O)(=O)OCCc1c[nH]c(=O)[nH]c1=O	38417911	GTAAJKZPDFSKSG-UHFFFAOYSA-N	234.233	-1.418	30	30	BAEC	
C#Cc1c(C#N)ncn1[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O	27880776	OAMMFSMFVAEFOI-LMLFDSFASA-N	249.226	-1.652	30	30	BAEC	in-vitro
OCC(CO)(COC[C@H]1CO1)COC[C@H]1CO1	33985912	FGPFIXISGWXSCE-UWVGGRQHSA-N	248.275	-1.212	30	30	BAEC	
NC(N)=[S+]c1cc(S)nc(N)n1	238790050	NKZZTXDLJJRURU-UHFFFAOYSA-O	202.288	-1.206	30	30	BAEC	
N[C@@H](Cc1nc[nH]c1C(=O)NO)C(=O)O	96328605	ITYHFBDKIHYAPB-VKHMYHEASA-N	214.181	-1.517	30	30	BAEC	
O=C(O[n+]1ccccc1)[C@@H]1CNCCO1	34064306	RPNVDGDXVGTPSO-VIFPVBQESA-N	209.225	-1.082	30	30	BAEC	
N#CCCNCCNCCNCCNCCN	22589785	MRXUUSCOXDLUQQ-UHFFFAOYSA-N	242.371	-1.783	30	30	BAEC	
CC(=O)N(O)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	223704889	XNGRTBJPTAUBTF-DWOUCZDBSA-N	237.208	-2.976	30	30	BAEC	
C[C@H]1O[C@H]1/C=C/C(=O)[C@@]1(O)C(=O)OC[C@@H]1CO	85598431	NDWZCKPIOWDQOR-WTCWJIQASA-N	242.227	-1.205	30	30	BAEC	
NC(=O)CO/N=C/Nc1nonc1N	38803762	WUOBTSLVJYFPPB-UHFFFAOYSA-N	200.158	-1.491	30	30	BAEC	
C=C1C[C@@H]([C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)OC1=O	22057138	UMKGNATWHHYUEM-WUNNTHRKSA-N	248.231	-2.706	30	30	BAEC	in-vitro
CC12CO[B-](c3c[nH]c(=O)cn3)(OC1)OC2	206076567	ZTOIEYSSNKIFOG-UHFFFAOYSA-N	223.017	-1.001	30	30	BAEC	
CC(=O)N(O)C[C@@H](O)CP(=O)(O)O	31456852	SMXUDUOWTDBXDT-RXMQYKEDSA-N	213.126	-1.237	30	30	BAEC	in-vitro
CC(=O)N[C@H]1/C(=N/O)O[C@H](CO)[C@@H](O)[C@@H]1O	5167376	NJBKCLCEXIDHDR-OANDGCGGSA-N	234.208	-2.608	30	30	BAEC	in-vitro
C#Cc1c(C#N)ncn1[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O	27880771	OAMMFSMFVAEFOI-VPOLOUISSA-N	249.226	-1.652	30	30	BAEC	in-vitro
CC(=O)N(O)[C@@H]1O[C@@H]([C@H](O)CO)[C@H](O)[C@H]1O	585139089	SOWDFTVNCACHGC-UIAUGNHASA-N	237.208	-2.976	30	30	BAEC	
CC1(C)[C@H](N)C(=O)N1[C@@]1(S(=O)(=O)O)CO1	2265362269	GEBANFHOGZPPBY-FBCQKBJTSA-N	236.249	-1.494	30	30	BAEC	
CC(C=NNC(N)=NN)=NNC(N)=NN	256766145	OJYUJZDMEIWZLQ-UHFFFAOYSA-N	214.237	-3.096	30	30	BAEC	
CO[C@H]1O[C@H]([C@H](S)CC(=O)O)[C@H](O)[C@H]1O	39098482	CTGYLXBVBNBUKT-LRLCYJNCSA-N	238.261	-1.147	30	30	BAEC	
N[C@H]1CNC(C(=O)O)=C(CC(=O)O)C1=O	31350028	UXFJYSFCCBPXED-BYPYZUCNSA-N	214.177	-1.701	30	30	BAEC	
CO[C@H]1O[C@H]([C@@H](S)CC(=O)O)[C@H](O)[C@H]1O	39098484	CTGYLXBVBNBUKT-RMJYWKLSSA-N	238.261	-1.147	30	30	BAEC	
CO[C@H]([C@H](C=O)OC)[C@H](O)[C@H](O)CO	38609773	CPALRJNELRTQTO-ULAWRXDQSA-N	208.210	-2.071	30	30	BAEC	
O=C(O[n+]1ccccc1)[C@H]1CNCCO1	34064307	RPNVDGDXVGTPSO-SECBINFHSA-N	209.225	-1.082	30	30	BAEC	
N[C@@H]1CNC(C(=O)O)=C(CC(=O)O)C1=O	1591537	UXFJYSFCCBPXED-SCSAIBSYSA-N	214.177	-1.701	30	30	BAEC	biogenic
OCC(CO)(COC[C@H]1CO1)COC[C@@H]1CO1	33985910	FGPFIXISGWXSCE-AOOOYVTPSA-N	248.275	-1.212	30	30	BAEC