smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CSCCCN1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000161073591	525449987	/nfs/dbraw/zinc/44/99/87/525449987.db2.gz	OOJXXTFHNQYJRP-UONOGXRCSA-N	0	3	319.392	3.566	10	70		DHIEHN
CCC[C@@H](C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1)N(C)C	ZINC000161247703	337576020	/nfs/dbraw/zinc/57/60/20/337576020.db2.gz	PARDMKNKCCOMCN-RISCZKNCSA-N	0	3	316.367	3.613	10	70		DHIEHN
FC(F)(F)c1ccc(CN2CCC(c3cc[nH]n3)CC2)cc1	ZINC000160536749	527680976	/nfs/dbraw/zinc/68/09/76/527680976.db2.gz	YQTIQRCBFDOPOL-UHFFFAOYSA-N	0	3	309.335	3.808	10	70		DHIEHN
CCC[C@H](C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1)N(C)C	ZINC000161247592	337575992	/nfs/dbraw/zinc/57/59/92/337575992.db2.gz	PARDMKNKCCOMCN-SMDDNHRTSA-N	0	3	316.367	3.613	10	70		DHIEHN
CCOc1ccccc1CN1CCC(c2cnn(CC)c2)CC1	ZINC000160462516	521482499	/nfs/dbraw/zinc/48/24/99/521482499.db2.gz	GRUALOKESDJPGH-UHFFFAOYSA-N	0	3	313.445	3.681	10	70		DHIEHN
CCC[C@H](N)C(=O)N[C@H](c1oc2ccccc2c1C)C(C)C	ZINC000159697224	521118692	/nfs/dbraw/zinc/11/86/92/521118692.db2.gz	JVIDSHRBCVIMRU-HOCLYGCPSA-N	0	3	302.418	3.682	10	70		DHIEHN
CCn1cc(C2CCN(Cc3ccccc3Cl)CC2)cn1	ZINC000160465307	523358291	/nfs/dbraw/zinc/35/82/91/523358291.db2.gz	LMCCDJSUIOCCHM-UHFFFAOYSA-N	0	3	303.837	3.936	10	70		DHIEHN
CC(C)Sc1ccccc1C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C	ZINC000161168314	519788287	/nfs/dbraw/zinc/78/82/87/519788287.db2.gz	NUABABBSVCRRMM-HOCLYGCPSA-N	0	3	320.502	3.646	10	70		DHIEHN
CC(C)Sc1ccccc1C(=O)N[C@H]1CN(C(C)C)C[C@H]1C	ZINC000161168193	519788348	/nfs/dbraw/zinc/78/83/48/519788348.db2.gz	NUABABBSVCRRMM-ZBFHGGJFSA-N	0	3	320.502	3.646	10	70		DHIEHN
CCn1cc(C2CCN(Cc3cccc(Cl)c3)CC2)cn1	ZINC000160463499	332803270	/nfs/dbraw/zinc/80/32/70/332803270.db2.gz	LZBBDZWXKIAMCH-UHFFFAOYSA-N	0	3	303.837	3.936	10	70		DHIEHN
CCC[C@@H](N)C(=O)N[C@@H](c1oc2ccccc2c1C)C(C)C	ZINC000159697106	520720791	/nfs/dbraw/zinc/72/07/91/520720791.db2.gz	JVIDSHRBCVIMRU-GDBMZVCRSA-N	0	3	302.418	3.682	10	70		DHIEHN
CCn1cc(C2CCN(Cc3ccc(Cl)cc3)CC2)cn1	ZINC000160464706	523356931	/nfs/dbraw/zinc/35/69/31/523356931.db2.gz	OXKWLHIRBPZPBQ-UHFFFAOYSA-N	0	3	303.837	3.936	10	70		DHIEHN
CSCCCN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000161073463	525450765	/nfs/dbraw/zinc/45/07/65/525450765.db2.gz	OOJXXTFHNQYJRP-ZIAGYGMSSA-N	0	3	319.392	3.566	10	70		DHIEHN
CC(C)Oc1cccc(CN2CCC(c3ccnn3C)CC2)c1	ZINC000160530108	519782918	/nfs/dbraw/zinc/78/29/18/519782918.db2.gz	BAWDLXLHSHLFCA-UHFFFAOYSA-N	0	3	313.445	3.587	10	70		DHIEHN