smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COc1cc2c(c(O)c1O)C(=O)c1c(O)cc(C)cc1C2=O	5412529	FRMFHVHHFVPACC-UHFFFAOYSA-N	300.266	1.896	10	30	DDCC	biogenic
O=Cc1cc(Br)cc(CN2CCOCC2)c1O	95830699	RVKOKXYJVFHJBV-UHFFFAOYSA-N	300.152	1.799	10	30	DDCC	
COc1c(O)c(O)cc2c1C(=O)c1c(cc(C)c(O)c1O)C2=O	14647415	ZMMPLCWJIXAWIQ-UHFFFAOYSA-N	316.265	1.601	10	30	DDCC	biogenic
Cc1ccc(C(=O)NC2(O)C(=O)c3ccccc3C2=O)cc1C	143724	TVSOMCJVQKDEQZ-UHFFFAOYSA-N	309.321	1.801	10	30	DDCC	
O=C1c2ccc(O)c(O)c2O[C@@]1(O)Cc1ccc(O)c(O)c1	13311894	LZJRSQAXVZJLOF-HNNXBMFYSA-N	304.254	1.015	10	30	DDCC	biogenic
Cc1cc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)no1	4362601	CZIGZGZCQWXXBK-UHFFFAOYSA-N	314.389	1.665	10	30	DDCC	
O=C(O)c1cc(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c(O)c1	5783979	OVPHIYQDYJLKEW-UHFFFAOYSA-N	322.225	1.132	10	30	DDCC	biogenic
Cc1ccc2c(c1)N(S(=O)(=O)O)N(c1ccc(N)cc1)N2	238790447	SFHYARGMOUOWGK-UHFFFAOYSA-N	306.347	1.949	10	30	DDCC	
COc1cc(OC)c(C=C2C(=O)OC(C)(C)OC2=O)c(OC)c1	103688	JFMDKQXCLGMHKQ-UHFFFAOYSA-N	322.313	1.932	10	30	DDCC	
COc1cc(OC)c(OC)cc1C=C1C(=O)OC(C)(C)OC1=O	103685	JYKTZKPJXFZDMF-UHFFFAOYSA-N	322.313	1.932	10	30	DDCC	
COc1cc(O)c2c(c1O)C(=O)c1cc(C)cc(O)c1C2=O	14760819	GLLRIXZGBQOFLM-UHFFFAOYSA-N	300.266	1.896	10	30	DDCC	biogenic
CO[C@@H]1c2ccc(O)cc2OC[C@]1(O)Cc1ccc(O)c(O)c1	13341365	HHDPKXQKOWHDNA-IAGOWNOFSA-N	318.325	1.857	10	30	DDCC	biogenic,in-vitro
COCc1nc2sc(C(=O)OC)c(N)c2cc1C(=O)OC	123433	STSOYYDUBTUOSQ-UHFFFAOYSA-N	310.331	1.598	10	30	DDCC	
COc1ccc(C=C2C(=O)OC(C)(C)OC2=O)c(OC)c1OC	103687	YKRQNGHPSCILLN-UHFFFAOYSA-N	322.313	1.932	10	30	DDCC	
O=C1c2ccc(S(=O)(=O)O)cc2C(=O)c2c(O)ccc(O)c21	38652636	TUAYNBIXNNFSGQ-UHFFFAOYSA-N	320.278	1.120	10	30	DDCC	
Nc1ccc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cc1	237977057	VSGDRAJGZATYGA-UHFFFAOYSA-N	324.340	1.301	10	30	DDCC	
COc1cscc1C(=O)NC1(O)C(=O)c2ccccc2C1=O	143725	LVDWYDWQPSBKQZ-UHFFFAOYSA-N	317.322	1.254	10	30	DDCC	
O=C1NC(=O)C(=CNc2ccc(Cl)cc2Cl)C(=O)N1	3128932	IBORGICIPWYKRB-UHFFFAOYSA-N	300.101	1.655	10	30	DDCC	
Oc1ccc2c(c1)OC[C@](O)(Cc1ccc(O)c(O)c1)[C@@H]2O	13481876	MPGFEHZDABUJFR-HZPDHXFCSA-N	304.298	1.203	10	30	DDCC	biogenic,in-vitro
Nc1cccc2c1C(=O)c1ccc(S(=O)(=O)O)cc1C2=O	5002965	YHEHZMLCNQADSB-UHFFFAOYSA-N	303.295	1.291	10	30	DDCC	
CNc1cc(C(=O)OC)c(N)c2c1C(=O)c1ccccc1C2=O	22007820	ZYQDRDWRKZYTFL-UHFFFAOYSA-N	310.309	1.873	10	30	DDCC	
COCCOc1cc(N)c2c(c1N)C(=O)c1ccccc1C2=O	5115656	SSIWUKJNWMCECS-UHFFFAOYSA-N	312.325	1.652	10	30	DDCC	
COc1cc(O)c(C2(O)C(=O)c3ccccc3C2=O)cc1OC	33872682	HKWHKLQNOZVEAG-UHFFFAOYSA-N	314.293	1.676	10	30	DDCC	
O=C1c2ccc(O)cc2OC[C@]1(O)Cc1ccc(O)c(O)c1	14758407	BTLMXNHNFFXBHW-MRXNPFEDSA-N	302.282	1.352	10	30	DDCC	biogenic,in-vitro
O=C1c2ccccc2C(=O)c2c1cc([N+](=O)[O-])c(O)c2[N+](=O)[O-]	199949750	TZLKPLPTWDBAJS-UHFFFAOYSA-N	314.209	1.984	10	30	DDCC	
Cc1nnsc1C(=O)NCc1ccc(N2CCOCC2)cc1	156626	FCTIZKCVUVVRNW-UHFFFAOYSA-N	318.402	1.613	10	30	DDCC	
O=C1c2ccc(O)c(O)c2O[C@]1(O)Cc1ccc(O)c(O)c1	13311892	LZJRSQAXVZJLOF-OAHLLOKOSA-N	304.254	1.015	10	30	DDCC	biogenic
O=c1cc(-c2ccc(O)c(O)c2)oc2c(O)c(O)cc(O)c12	6525303	ASOIXDIITRKTOX-UHFFFAOYSA-N	302.238	1.988	10	30	DDCC	biogenic,in-vitro
O=C1c2ccccc2C(=O)c2c(O)c(SCCO)cc(O)c21	5934721	MEPIQIDDESKQAQ-UHFFFAOYSA-N	316.334	1.958	10	30	DDCC	
O=C(Cc1c[nH]c2ccccc12)NN1C(=O)CSC1=S	1997106	USWJQWKLIJDQOY-UHFFFAOYSA-N	305.384	1.602	10	30	DDCC	
Cc1[nH]cnc1CSCCNC(=N)N[C@H](C)Cc1c[nH]cn1	3620813	JXJRIXGXPTZOCF-SNVBAGLBSA-N	321.454	1.420	10	30	DDCC	in-man
CCOC(=O)c1csc(CN2CCO[C@@H](CN=[N+]=[N-])C2)n1	958720338	PCGOACBLRCOCQD-VIFPVBQESA-N	311.367	1.831	10	30	DDCC	
COc1ccc(C=C2C(=O)NC(=O)NC2=O)c(Cl)c1OC	3118400	NUVDTORTTWHJMZ-UHFFFAOYSA-N	310.693	1.107	10	30	DDCC	
O=C(N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O)c1ccccc1	6095785	WGTPJOPXQRPTDE-LBPRGKRZSA-N	301.298	1.524	10	30	DDCC	
O=C1c2c(O)ccc(NO)c2C(=O)c2c(O)ccc(NO)c21	44709930	JVIPAPNJSFTNSN-UHFFFAOYSA-N	302.242	1.475	10	30	DDCC	
CCOC(=O)c1csc(CN2CCO[C@H](CN=[N+]=[N-])C2)n1	958720337	PCGOACBLRCOCQD-SECBINFHSA-N	311.367	1.831	10	30	DDCC