smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
OCCCCCC(F)(F)F	2581445	571802361	/nfs/dbraw/zinc/80/23/61/571802361.db2.gz	KQJFLYJMTLQJEW-UHFFFAOYSA-N	0	0	156.147	2.101	30	0		AEACRN
C1=NCCc2c1oc1ccccc21	39647988	571936524	/nfs/dbraw/zinc/93/65/24/571936524.db2.gz	BWNSEVAPTHUHPR-UHFFFAOYSA-N	0	0	171.199	2.408	30	0		AEACRN
C[C@@H](O)c1occc1Br	60073431	572334687	/nfs/dbraw/zinc/33/46/87/572334687.db2.gz	HFZDUEVKCBZGMZ-SCSAIBSYSA-N	0	0	191.024	2.095	30	0		AEACRN
C[C@H](O)c1occc1Br	60073429	572334697	/nfs/dbraw/zinc/33/46/97/572334697.db2.gz	HFZDUEVKCBZGMZ-BYPYZUCNSA-N	0	0	191.024	2.095	30	0		AEACRN
CCCC[C@@H](NC)C(F)(F)F	18681130	343048879	/nfs/dbraw/zinc/04/88/79/343048879.db2.gz	CIXGCNLWORCNRF-ZCFIWIBFSA-N	0	0	169.190	2.327	30	0		AEACRN
CCc1cnc(C(F)(F)F)cn1	79387521	343586807	/nfs/dbraw/zinc/58/68/07/343586807.db2.gz	OPKPKXPKBROLGY-UHFFFAOYSA-N	0	0	176.141	2.058	30	0		AEACRN
CCOC(=O)CCCC(C)(F)F	67794607	167329473	/nfs/dbraw/zinc/32/94/73/167329473.db2.gz	HRPQITWESCANBX-UHFFFAOYSA-N	0	0	180.194	2.375	30	0		AEACRN
CC(C)(C)OC(=O)c1cncc(F)c1	135110418	343954823	/nfs/dbraw/zinc/95/48/23/343954823.db2.gz	RUTBOHOCUCIAJM-UHFFFAOYSA-N	0	0	197.209	2.176	30	0		AEACRN
CN[C@@H](C(C)(C)C)C(F)(F)F	17401101	168030007	/nfs/dbraw/zinc/03/00/07/168030007.db2.gz	MKMGTKSLFCQGBE-YFKPBYRVSA-N	0	0	169.190	2.183	30	0		AEACRN
CN[C@H](C(C)(C)C)C(F)(F)F	17401103	168047762	/nfs/dbraw/zinc/04/77/62/168047762.db2.gz	MKMGTKSLFCQGBE-RXMQYKEDSA-N	0	0	169.190	2.183	30	0		AEACRN
COC1=NCC2(CCCCC2)C1	71792205	168145202	/nfs/dbraw/zinc/14/52/02/168145202.db2.gz	HNORZUZQEVROCS-UHFFFAOYSA-N	0	0	167.252	2.386	30	0		AEACRN
COc1ccc(F)c2cc[nH]c12	14986069	168252181	/nfs/dbraw/zinc/25/21/81/168252181.db2.gz	MCUHJHBCMVCIMA-UHFFFAOYSA-N	0	0	165.167	2.316	30	0		AEACRN
C[C@@H]1CCC[C@H](C(F)(F)F)N1	70632653	168425969	/nfs/dbraw/zinc/42/59/69/168425969.db2.gz	ZAKCFTLJCCJOLA-PHDIDXHHSA-N	0	0	167.174	2.079	30	0		AEACRN
Cc1ccc([S@@](C)=O)cc1C	67801372	168845071	/nfs/dbraw/zinc/84/50/71/168845071.db2.gz	ICPICMYTXUBOQA-NSHDSACASA-N	0	0	168.261	2.041	30	0		AEACRN
Cc1nc2ccccn2c1-c1cc[nH]n1	123793	342927386	/nfs/dbraw/zinc/92/73/86/342927386.db2.gz	HPJHIZQUPBRFBY-UHFFFAOYSA-N	0	0	198.229	2.033	30	0		AEACRN
CCCC[C@H](NC)C(F)(F)F	18681132	343048847	/nfs/dbraw/zinc/04/88/47/343048847.db2.gz	CIXGCNLWORCNRF-LURJTMIESA-N	0	0	169.190	2.327	30	0		AEACRN
Cc1cc(Cl)cc(F)c1N	67794449	343410860	/nfs/dbraw/zinc/41/08/60/343410860.db2.gz	JOVNAPZGYWRKSE-UHFFFAOYSA-N	0	0	159.591	2.370	30	0		AEACRN
Cc1ccc([S@](C)=O)cc1C	67801370	343411266	/nfs/dbraw/zinc/41/12/66/343411266.db2.gz	ICPICMYTXUBOQA-LLVKDONJSA-N	0	0	168.261	2.041	30	0		AEACRN
Cc1ccc(C)c([S@](C)=O)c1	67801366	343411396	/nfs/dbraw/zinc/41/13/96/343411396.db2.gz	JINAZKQHPPHCKF-LLVKDONJSA-N	0	0	168.261	2.041	30	0		AEACRN
Cc1ccc(C)c([S@@](C)=O)c1	67801367	343411417	/nfs/dbraw/zinc/41/14/17/343411417.db2.gz	JINAZKQHPPHCKF-NSHDSACASA-N	0	0	168.261	2.041	30	0		AEACRN
C[C@H]1CCC[C@H](C(F)(F)F)N1	70632654	343510794	/nfs/dbraw/zinc/51/07/94/343510794.db2.gz	ZAKCFTLJCCJOLA-NTSWFWBYSA-N	0	0	167.174	2.079	30	0		AEACRN
C[C@H]1CCC[C@@H](C(F)(F)F)N1	70632657	343510948	/nfs/dbraw/zinc/51/09/48/343510948.db2.gz	ZAKCFTLJCCJOLA-WDSKDSINSA-N	0	0	167.174	2.079	30	0		AEACRN
CCc1cncc(C(F)(F)F)n1	79387506	343586943	/nfs/dbraw/zinc/58/69/43/343586943.db2.gz	YLTUWIZNMXYRIU-UHFFFAOYSA-N	0	0	176.141	2.058	30	0		AEACRN
CC(C)Oc1cccc(F)c1O	95710807	343686123	/nfs/dbraw/zinc/68/61/23/343686123.db2.gz	IRGRGDUSYBLIRD-UHFFFAOYSA-N	0	0	170.183	2.319	30	0		AEACRN
Cc1cc2c(F)ccc(N)c2[nH]1	97442065	343702121	/nfs/dbraw/zinc/70/21/21/343702121.db2.gz	IMATZPJRBFDRSR-UHFFFAOYSA-N	0	0	164.183	2.198	30	0		AEACRN
Cc1nc(Cc2cccc(F)c2)no1	141869757	344008780	/nfs/dbraw/zinc/00/87/80/344008780.db2.gz	LBXVKSYSMQXGLI-UHFFFAOYSA-N	0	0	192.193	2.108	30	0		AEACRN
CC(C)(C)c1nc(C2CC2)no1	141902083	344008918	/nfs/dbraw/zinc/00/89/18/344008918.db2.gz	RVOBIBYQEHHTAV-UHFFFAOYSA-N	0	0	166.224	2.245	30	0		AEACRN
C[C@@H]1CCC[C@@H](C(F)(F)F)N1	70632656	351605007	/nfs/dbraw/zinc/60/50/07/351605007.db2.gz	ZAKCFTLJCCJOLA-RITPCOANSA-N	0	0	167.174	2.079	30	0		AEACRN