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)[N-]C1=NC(=O)/C(=C/N2CCOCC2)S1	ZINC000018266444	351347829	/nfs/dbraw/zinc/34/78/29/351347829.db2.gz	UWYDGRMOCAXDLJ-VURMDHGXSA-N	-1	3	255.299	-0.075	50	10		CBCAHM
CC(=O)[N-]C1=NC(=O)/C(=C\N2CCOCC2)S1	ZINC000005851953	260020622	/nfs/dbraw/zinc/02/06/22/260020622.db2.gz	UWYDGRMOCAXDLJ-SOFGYWHQSA-N	-1	3	255.299	-0.075	50	10		CBCAHM
O=C1c2ccccc2C(=O)[C@@]2(O)OCCO[C@]12[O-]	ZINC000000047126	372752617	/nfs/dbraw/zinc/75/26/17/372752617.db2.gz	YZJPEXRMPHNUET-VXGBXAGGSA-N	-1	3	250.206	-0.510	50	10		CBCAHM
CN(C)CCNC=C1C(=O)[N-]C(=S)N(C2CC2)C1=O	ZINC000001855012	351306939	/nfs/dbraw/zinc/30/69/39/351306939.db2.gz	LZNJRENUKTXKSG-CLFYSBASSA-N	-1	3	282.369	-0.573	50	10		CBCAHM
CO[C@]1([O-])C(=O)c2ccccc2C(=O)[C@@]1(O)OC	ZINC000002112396	286174682	/nfs/dbraw/zinc/17/46/82/286174682.db2.gz	GPQBFIMEIZOAEY-VXGBXAGGSA-N	-1	3	252.222	-0.264	50	10		CBCAHM
CCN1C(=O)C(=CNCCN(C)C)C(=O)[N-]C1=S	ZINC000019996833	351353888	/nfs/dbraw/zinc/35/38/88/351353888.db2.gz	SRZDAHISROCAJD-BQYQJAHWSA-N	-1	3	270.358	-0.715	50	10		CBCAHM
CN(C)CCNC=C1C(=O)[N-]C(=S)N(C2CC2)C1=O	ZINC000101086418	351782150	/nfs/dbraw/zinc/78/21/50/351782150.db2.gz	LZNJRENUKTXKSG-VQHVLOKHSA-N	-1	3	282.369	-0.573	50	10		CBCAHM
O=C1c2ccccc2C(=O)[C@]2(O)OCCO[C@@]12[O-]	ZINC000000047129	304722123	/nfs/dbraw/zinc/72/21/23/304722123.db2.gz	YZJPEXRMPHNUET-RYUDHWBXSA-N	-1	3	250.206	-0.510	50	10		CBCAHM
CCCCN1C(=O)[N-]C(=O)C(=CNCCN(C)C)C1=O	ZINC000020023842	351353733	/nfs/dbraw/zinc/35/37/33/351353733.db2.gz	YYNQRXYXFYUNIP-MDZDMXLPSA-N	-1	3	282.344	-0.100	50	10		CBCAHM
CO[C@@]1(O)C(=O)c2ccccc2C(=O)[C@@]1([O-])OC	ZINC000002112392	372753436	/nfs/dbraw/zinc/75/34/36/372753436.db2.gz	GPQBFIMEIZOAEY-TXEJJXNPSA-N	-1	3	252.222	-0.264	50	10		CBCAHM
CO[C@@]1([O-])C(=O)c2ccccc2C(=O)[C@@]1(O)OC	ZINC000002112392	372753439	/nfs/dbraw/zinc/75/34/39/372753439.db2.gz	GPQBFIMEIZOAEY-TXEJJXNPSA-N	-1	3	252.222	-0.264	50	10		CBCAHM
O=C1c2ccccc2C(=O)[C@@]2(O)OCCO[C@@]12[O-]	ZINC000000047127	372753497	/nfs/dbraw/zinc/75/34/97/372753497.db2.gz	YZJPEXRMPHNUET-TXEJJXNPSA-N	-1	3	250.206	-0.510	50	10		CBCAHM
O=C1c2ccccc2C(=O)[C@@]2([O-])OCCO[C@@]12O	ZINC000000047127	372753498	/nfs/dbraw/zinc/75/34/98/372753498.db2.gz	YZJPEXRMPHNUET-TXEJJXNPSA-N	-1	3	250.206	-0.510	50	10		CBCAHM
O=C1[N-]C(=S)NC(=O)C1=CNCCCn1ccnc1	ZINC000100777895	351781633	/nfs/dbraw/zinc/78/16/33/351781633.db2.gz	SVSGGFQXIYBOEA-UHFFFAOYSA-N	-1	3	279.325	-0.722	50	10		CBCAHM
CO[C@@]1([O-])C(=O)c2ccccc2C(=O)[C@]1(O)OC	ZINC000002112391	285931136	/nfs/dbraw/zinc/93/11/36/285931136.db2.gz	GPQBFIMEIZOAEY-RYUDHWBXSA-N	-1	3	252.222	-0.264	50	10		CBCAHM
CN1C(=O)[N-]C(=O)C(=CNCCN2CCCCC2)C1=O	ZINC000020025105	351353299	/nfs/dbraw/zinc/35/32/99/351353299.db2.gz	UZHVSJRAGSEQHK-MDZDMXLPSA-N	-1	3	280.328	-0.346	50	10		CBCAHM
CCCCN1C(=O)C(=CNN=C(N)N)C(=O)[N-]C1=S	ZINC000020358389	171157519	/nfs/dbraw/zinc/15/75/19/171157519.db2.gz	BSISTOKAEQQUFF-AATRIKPKSA-N	-1	3	284.345	-0.258	50	10		CBCAHM
O=C([O-])C(=O)NCc1ccc(N2CCNCC2)c(F)c1	ZINC000408525762	353926907	/nfs/dbraw/zinc/92/69/07/353926907.db2.gz	INDDTOLKHNYHOF-UHFFFAOYSA-N	-1	3	281.287	-0.064	50	10		CBCAHM