smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cc1nnsc1C(=O)NNS(=O)(=O)c1cccs1	4333786	UCPCWQOWPCOHCC-UHFFFAOYSA-N	304.378	0.531	50	30	DCGC	
O=C(Cn1nnc(N2CCCCC2)n1)N/N=C/c1ccccn1	88960	BNSSMDIMRAMNLY-MHWRWJLKSA-N	314.353	0.209	50	30	DCGC	
O=C1NCCC[C@H]1C(=O)NNC(=S)NCc1ccccc1	66945	QZMHAFLJEGCPHV-LLVKDONJSA-N	306.391	0.208	50	30	DCGC	
NNC(=O)c1csc(CS(=O)(=O)Cc2ccco2)n1	2150956	STPIPIQKOKGEHG-UHFFFAOYSA-N	301.349	0.455	50	30	DCGC	
C=C[Si]1(C)OCCOCCOCCOCCOCCO1	196289475	SUTZNTRXSZETKN-UHFFFAOYSA-N	306.431	0.897	50	30	DCGC	
C[N+](C)(CC[N+](C)(C)C[C@H](O)CCl)C[C@H](O)CCl	6068216	REJGNEHIGQUMNR-VXGBXAGGSA-N	303.274	0.339	50	30	DCGC	
C=CCNC(=S)NNC(=O)c1cnn(-c2ccccc2)c1N	4333577	SRKWIMMUBFQOEQ-UHFFFAOYSA-N	316.390	0.749	50	30	DCGC	
O=C(CCl)OCCOCCOCCOC(=O)CCl	59143137	PKTRTVISKORDAU-UHFFFAOYSA-N	303.138	0.584	50	30	DCGC	
O=C(NNC(=S)NC(=O)C1CC1)c1cccc([N+](=O)[O-])c1	2148033	KKGOYVHKGKCNLF-UHFFFAOYSA-N	308.319	0.640	50	30	DCGC	
C=CC(=O)OC[C@H](O)COCCC[Si](OC)(OC)OC	196282291	HWOMYGSRBXHQLT-LLVKDONJSA-N	308.403	0.361	50	30	DCGC	
O=C(O)[C@@H]1[C@H](C(=O)O)[C@@]1(Br)CBr	2265347424	YWURKUHKITZMCF-JZRJDJKKSA-N	301.918	0.930	50	30	DCGC	
C[N+](C)(CC[N+](C)(C)C[C@@H](O)CCl)C[C@H](O)CCl	6068218	REJGNEHIGQUMNR-TXEJJXNPSA-N	303.274	0.339	50	30	DCGC	
CC(C)(C)OC(=O)Nc1ncc(B(O)O)cc1Br	221283975	BXQLLPZNZVUIEG-UHFFFAOYSA-N	316.948	0.871	50	30	DCGC	
Nc1nc(N)c2nc(CN(CCCl)CCCl)cnc2n1	95902522	PPFFPPFQAFBNEJ-UHFFFAOYSA-N	316.196	0.864	50	30	DCGC	
C=C1C[C@H](O)[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@H]1C[C@H](O)[C@]2(O)CCl	5157430	YIFQICREHIVCKL-YWDFAVMRSA-N	314.765	0.372	50	30	DCGC	
CN(C)c1nc(NP(=O)(N2CC2)N2CC2)c2c(ncn2C)n1	8214666	KAEVHZSIYLATMK-UHFFFAOYSA-N	322.313	0.581	50	30	DCGC	in-man
CC(NC(=O)CBr)NC(=O)CBr	5447572	LXQOYTPYCRHHCB-UHFFFAOYSA-N	301.966	0.355	50	30	DCGC	
CC(C)(C)OC(=O)Nc1cc(B(O)O)cc(Br)n1	221283888	WGIALTBKINLZMN-UHFFFAOYSA-N	316.948	0.871	50	30	DCGC	
CCOC(=O)C(=CNNC(=O)c1cccs1)C(=O)OCC	2160975	GZTCRGNSYPZNAS-UHFFFAOYSA-N	312.347	0.993	50	30	DCGC	
COCC(=O)NNC(=O)c1ccc(-c2ccc(F)cc2C)nn1	21300359	XMDJEHDPIZZELW-UHFFFAOYSA-N	318.308	0.999	50	30	DCGC	
Cc1nc(CS(=O)(=O)c2ccccn2)sc1C(=O)NN	4365149	IESGLMUYINKDMI-UHFFFAOYSA-N	312.376	0.424	50	30	DCGC	
Cc1nc(C(=O)NNC(=O)c2c([N+](=O)[O-])c(C)nn2C)cs1	2150702	XOFPMLRIUYIECO-UHFFFAOYSA-N	324.322	0.476	50	30	DCGC	
O=C(Cn1nnc(N2CCCCC2)n1)N/N=C/c1ccncc1	88983	FMHXOQHOYDUWTQ-MHWRWJLKSA-N	314.353	0.209	50	30	DCGC	
CC(=O)NC(=O)/C(C#N)=C/N1CCN(Cc2ccccc2)CC1	20443728	NXMZFTHUHISXMZ-DTQAZKPQSA-N	312.373	0.874	50	30	DCGC	
COc1ncc(C(=O)NNC(=O)c2ccno2)cc1[N+](=O)[O-]	127688	IBGVKJPQTLMIGV-UHFFFAOYSA-N	307.222	0.061	50	30	DCGC	
O=C(Cn1nnc(N2CCCCC2)n1)N/N=C/c1cccnc1	89042	WOCCKSQDGWVSNL-MHWRWJLKSA-N	314.353	0.209	50	30	DCGC	
O=C(CCBr)NCNC(=O)CCBr	1688723	ARAAKZVNWNKJOM-UHFFFAOYSA-N	315.993	0.746	50	30	DCGC	
Cc1cc(-c2onc(C)c2C(=O)NNS(C)(=O)=O)no1	122701	OLIJPKBEGCRUON-UHFFFAOYSA-N	300.296	0.140	50	30	DCGC	
NNC(=O)CS(=O)(=O)Cc1ccc(-c2csnn2)cc1	4389615	BOVJNTWPSOAYHQ-UHFFFAOYSA-N	312.376	0.110	50	30	DCGC	
CCCC(=O)N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O	38647238	DZLKMQVMKBHIIE-BQBZGAKWSA-N	310.397	0.149	50	30	DCGC	
CCCCNC(=S)NNC(=O)CNC(=O)OC(C)(C)C	4364989	GZYLAAZCQAMGHX-UHFFFAOYSA-N	304.416	0.807	50	30	DCGC	
CC1(C)O[C@H]2O[C@H](CI)[C@H](O)[C@H]2O1	91252156	DCKHXMRAJOEGMI-XZBKPIIZSA-N	300.092	0.659	50	30	DCGC	biogenic
Cc1nnsc1C(=O)NNS(=O)(=O)c1c(C)noc1C	12340589	SPRGEXCWRXELPE-UHFFFAOYSA-N	317.352	0.075	50	30	DCGC	
CS(=O)(=O)OCCN[P@]1(=O)OCCCN1CCCl	4214349	ZSZKJARKHWCBJK-KRWDZBQOSA-N	320.735	0.621	50	30	DCGC	in-man
CCCC(=O)N[C@@H](CSSC[C@@H](N)C(=O)O)C(=O)O	98089855	DZLKMQVMKBHIIE-RQJHMYQMSA-N	310.397	0.149	50	30	DCGC	
CS(=O)(=O)C12COC(CI)(C1)C2	2265384678	HZKRYEUZMJFUKJ-UHFFFAOYSA-N	302.133	0.768	50	30	DCGC	
Cc1ccc(-c2nnn(CC(=O)NNC(=O)C(C)(C)C)n2)cc1	116889	GIDYLZRHTSYBHN-UHFFFAOYSA-N	316.365	0.842	50	30	DCGC	
CNC(=S)NNC(=O)CSCC(=O)Nc1ccccc1	36049465	DDULNVZOICFKDV-UHFFFAOYSA-N	312.420	0.483	50	30	DCGC	
COCCO[Si](CCCN)(OCCOC)OCCOC	195764286	UWVCSCFFSAPGAI-UHFFFAOYSA-N	311.451	0.263	50	30	DCGC	
C[N+](C)(CC[N+](C)(C)C[C@@H](O)CCl)C[C@@H](O)CCl	6068223	REJGNEHIGQUMNR-RYUDHWBXSA-N	303.274	0.339	50	30	DCGC	
CS(=O)(=O)OCCN[P@@]1(=O)OCCCN1CCCl	100378735	ZSZKJARKHWCBJK-QGZVFWFLSA-N	320.735	0.621	50	30	DCGC	in-man
CN(C)NC(=O)NCc1ccccc1CNC(=O)NN(C)C	44710334	XBHVXGVJAFWDOJ-UHFFFAOYSA-N	308.386	0.238	50	30	DCGC	
C=CC(=O)OC[C@@H](O)COCCC[Si](OC)(OC)OC	196282281	HWOMYGSRBXHQLT-NSHDSACASA-N	308.403	0.361	50	30	DCGC	
O=C1NCCC[C@@H]1C(=O)NNC(=S)NCc1ccccc1	66943	QZMHAFLJEGCPHV-NSHDSACASA-N	306.391	0.208	50	30	DCGC	
COc1ccc(Br)c(C(=O)NNC(N)=S)c1	75354	HSFDOBQDGDYOQP-UHFFFAOYSA-N	304.169	0.936	50	30	DCGC	
NNC(=O)c1ccccc1OOc1ccccc1C(=O)NN	299754764	OZWDLWDANDMMAY-UHFFFAOYSA-N	302.290	0.266	50	30	DCGC	
CC(C)(C)OC(=O)n1c(B(O)O)cc2cc(C(=O)O)ccc21	201300841	SSIOKSWXLIBVRA-UHFFFAOYSA-N	305.095	0.803	50	30	DCGC	
Cc1nc(-c2nc(C(=O)NNS(C)(=O)=O)cs2)cs1	2151346	GIPCKDNGQGVAES-UHFFFAOYSA-N	318.405	0.769	50	30	DCGC