smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)c1cccc2c1CCC=C2	142328145	573262632	/nfs/dbraw/zinc/26/26/32/573262632.db2.gz	UPGAFYYUKNFJCB-UHFFFAOYSA-N	0	0	172.227	2.849	30	0		AFACRN
CC(C)C[C@H]1OC(=O)C2=CCCC[C@H]21	5759853	571847246	/nfs/dbraw/zinc/84/72/46/571847246.db2.gz	CTMNHOOSFSITGN-MWLCHTKSSA-N	0	0	194.274	2.684	30	0		AFACRN
C=Cc1ccc(Cl)c(C(=O)OC)c1	39117585	571894888	/nfs/dbraw/zinc/89/48/88/571894888.db2.gz	LNEHUMFLJTYIRD-UHFFFAOYSA-N	0	0	196.633	2.770	30	0		AFACRN
CC(=O)c1cc(C)c(Cl)s1	36533246	166317358	/nfs/dbraw/zinc/31/73/58/166317358.db2.gz	ROMCXPKYPGODDM-UHFFFAOYSA-N	0	0	174.652	2.913	30	0		AFACRN
CC(C)C[C@@H]1OC(=O)C2=CCCC[C@H]21	5760083	166489957	/nfs/dbraw/zinc/48/99/57/166489957.db2.gz	CTMNHOOSFSITGN-KOLCDFICSA-N	0	0	194.274	2.684	30	0		AFACRN
CCOC1=NCC2(CCCCC2)C1	71792206	167381082	/nfs/dbraw/zinc/38/10/82/167381082.db2.gz	HSTLRVBLRFAFRZ-UHFFFAOYSA-N	0	0	181.279	2.776	30	0		AFACRN
CN[C@@H](C1CCCCC1)C(F)(F)F	78676886	168036631	/nfs/dbraw/zinc/03/66/31/168036631.db2.gz	QAKGMUMWTVXEOI-QMMMGPOBSA-N	0	0	195.228	2.717	30	0		AFACRN
CN[C@H](C1CCCCC1)C(F)(F)F	78676888	168052819	/nfs/dbraw/zinc/05/28/19/168052819.db2.gz	QAKGMUMWTVXEOI-MRVPVSSYSA-N	0	0	195.228	2.717	30	0		AFACRN
Cc1ccc(C(C)C)c(N)c1	84731467	168802339	/nfs/dbraw/zinc/80/23/39/168802339.db2.gz	IBDUWDDUJSWRTJ-UHFFFAOYSA-N	0	0	149.237	2.701	30	0		AFACRN
FC(F)(F)[C@H]1Cc2ccccc2N1	76632103	169072291	/nfs/dbraw/zinc/07/22/91/169072291.db2.gz	ZBCLMTMXGXNCIR-MRVPVSSYSA-N	0	0	187.164	2.586	30	0		AFACRN
FC(F)(F)[C@@H]1Cc2ccccc2N1	76632105	169072523	/nfs/dbraw/zinc/07/25/23/169072523.db2.gz	ZBCLMTMXGXNCIR-QMMMGPOBSA-N	0	0	187.164	2.586	30	0		AFACRN
C=C(Cl)c1ccnc(Cl)c1	104678548	325618090	/nfs/dbraw/zinc/61/80/90/325618090.db2.gz	LSUAKKOCCLZAIG-UHFFFAOYSA-N	0	0	174.030	2.945	30	0		AFACRN
Cc1c(F)ccc(Cl)c1F	66318919	343409259	/nfs/dbraw/zinc/40/92/59/343409259.db2.gz	ZQRFUKLYOPSDEN-UHFFFAOYSA-N	0	0	162.566	2.927	30	0		AFACRN
CCc1cc(CC)cc(C(=O)OC)c1	67802578	343411136	/nfs/dbraw/zinc/41/11/36/343411136.db2.gz	NWLUWVLMWWQYSR-UHFFFAOYSA-N	0	0	192.258	2.598	30	0		AFACRN
Cc1cc(N)c(F)c(C(F)(F)F)c1	79387500	343587111	/nfs/dbraw/zinc/58/71/11/343587111.db2.gz	OLCQRHSNUYSUGP-UHFFFAOYSA-N	0	0	193.143	2.735	30	0		AFACRN
CCOc1cccc(OCC)c1F	40571673	351509276	/nfs/dbraw/zinc/50/92/76/351509276.db2.gz	DCIKVRUZURIZEK-UHFFFAOYSA-N	0	0	184.210	2.623	30	0		AFACRN
O=Cc1cc(Cl)c(Cl)cc1F	117657617	351725552	/nfs/dbraw/zinc/72/55/52/351725552.db2.gz	OXEVLIPBDBFQBA-UHFFFAOYSA-N	0	0	193.004	2.945	30	0		AFACRN