smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C[C@@H](Cl)C(=O)NCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C	1875364845	VULDKIFVWPXBHV-LLVKDONJSA-N	406.892	-0.481	50	50	HBGA	
C[C@H](C(=O)NNC(=S)NCCN1CCOCC1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O	239358357	NCKISSDCOBJJHI-MGPQQGTHSA-N	409.512	-0.846	50	50	HBGA	
O[C@@H](CCl)CN1CC[N+]2(CC1)CC[N+]1(CCN(C[C@@H](O)CCl)CC1)CC2	1649227	UVYDWIMQPVNRJN-ROUUACIJSA-N	411.418	-0.536	50	50	HBGA	in-man
COc1ccc(/C=N/NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(OC)c1	1475240	URWVRBIZFUHTFN-DNTJNYDQSA-N	400.395	-0.399	50	50	HBGA	
O[Si]1(c2ccccc2)O[Si](O)(c2ccccc2)O[Si](O)(c2ccccc2)O1	195796833	KARGDDBTIWEMBV-UHFFFAOYSA-N	414.594	-0.435	50	50	HBGA	
O[C@H](CCl)CN1CC[N+]2(CC1)CC[N+]1(CCN(C[C@@H](O)CCl)CC1)CC2	1649225	UVYDWIMQPVNRJN-HDICACEKSA-N	411.418	-0.536	50	50	HBGA	in-man
CCNC(=O)COc1ccc(CNC(=O)c2ccc(B(O)O)c(C=O)c2)cc1OC	2325873689	PXCCPYHASIKBMF-UHFFFAOYSA-N	414.223	-0.368	50	50	HBGA	
COc1ccc(/C=N/NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC	1296760	CMQRQAJIXOXQGA-DNTJNYDQSA-N	400.395	-0.399	50	50	HBGA	
COc1cc(/C=N/NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc(OC)c1O	1477388	YALYDKIEFUBYKA-IFRROFPPSA-N	416.394	-0.693	50	50	HBGA	biogenic
COc1ccc(OC)c(/C=N/NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1	949980	OQSCPSDROYUMDL-DNTJNYDQSA-N	400.395	-0.399	50	50	HBGA	
Cn1c(=O)c2c(ncn2CC(=O)N/N=C/c2ccccc2OCC(=O)O)n(C)c1=O	1475214	YAVRWLBUWUJTOB-IFRROFPPSA-N	414.378	-0.953	50	50	HBGA	
O=S(=O)(c1cc(B(O)O)ccc1OC(F)(F)F)N1CCC2(CC1)OCCO2	230541896	VCZCDXRISXQMJU-UHFFFAOYSA-N	411.163	-0.207	50	50	HBGA	
CS(=O)(=O)c1ccc([C@@H](O)[C@@H](COC(=O)CN)NC(=O)C(Cl)Cl)cc1	35982583	AMGKHLVPQHMHGQ-ZYHUDNBSSA-N	413.279	-0.086	50	50	HBGA	in-man
O=C(CCS(=O)(=O)CCCl)NCNC(=O)CCS(=O)(=O)CCCl	4529995	DTPNPUYTOQFCIE-UHFFFAOYSA-N	411.329	-0.736	50	50	HBGA	
CCOc1cccc(/C=N/NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1O	5402735	LHGGBPNQIVCBEC-DNTJNYDQSA-N	400.395	-0.312	50	50	HBGA	
CCOc1cc(/C=N/NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1O	5296716	KAJLORMDUJXJHX-DNTJNYDQSA-N	400.395	-0.312	50	50	HBGA	
O=Cc1cc(C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)ccc1B(O)O	2325873949	ZWPZDLQJHHFJRF-UHFFFAOYSA-N	401.272	-0.661	50	50	HBGA	
COc1ccc(B(O)O)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1	230548566	SKELWGXKWWICSI-UHFFFAOYSA-N	400.262	-0.384	50	50	HBGA	
COc1cccc(/C=N/NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1OC	1244741	NDHXKVOLLUOOOJ-DNTJNYDQSA-N	400.395	-0.399	50	50	HBGA	
O[C@H](CCl)CN1CC[N+]2(CC1)CC[N+]1(CCN(C[C@H](O)CCl)CC1)CC2	608048	UVYDWIMQPVNRJN-QZTJIDSGSA-N	411.418	-0.536	50	50	HBGA	in-man
COc1cc(/C=N/NC(=O)CNc2n[nH]c(=O)[nH]c2=O)cc(Br)c1O	1748404	XCCKTEWDEWRQJQ-AYSLTRBKSA-N	413.188	-0.503	50	50	HBGA	
COc1cc(C(=O)NCC(=O)NNc2ncnc(N)c2[N+](=O)[O-])cc(OC)c1OC	9391673	JWMOFURVOOFPPD-UHFFFAOYSA-N	421.370	-0.134	50	50	HBGA	
COc1ccc(B(O)O)c(C=O)c1OCC(=O)Nc1ccccc1S(C)(=O)=O	2325854109	OINHGFMPIZLEKP-UHFFFAOYSA-N	407.209	-0.392	50	50	HBGA	
Cc1cccc(OCC(=O)NCC(=O)NN=C2C(=O)N(CC(N)=O)c3ccccc32)c1	252679315	KRFYQZKUWYUZRT-UHFFFAOYSA-N	423.429	-0.158	50	50	HBGA	
C[C@H](Cl)C(=O)NCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C	1875364846	VULDKIFVWPXBHV-NSHDSACASA-N	406.892	-0.481	50	50	HBGA	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccccc2F)c1CN1CCOCC1	19818163	MJXABYHIOCWBSS-AWQFTUOYSA-N	415.389	-0.032	50	50	HBGA	
CCOc1ccc(/C=N/NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC	1259717	SPALKWIMTSKNEW-ZVBGSRNCSA-N	414.422	-0.009	50	50	HBGA	
COc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1B(O)O	230550770	NWTPQIPMKBUCLO-UHFFFAOYSA-N	400.262	-0.384	50	50	HBGA	
O=C(NNS(=O)(=O)c1ccco1)c1cccc(S(=O)(=O)N2CCOCC2)c1	170602980	FJJPAYBRBZXYDQ-UHFFFAOYSA-N	415.449	-0.076	50	50	HBGA