smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)C([O-])(O)C(=O)OC	14620056	573836894	/nfs/dbraw/zinc/83/68/94/573836894.db2.gz	ZBBVXGLNRFEQBR-UHFFFAOYSA-N	-1	1	164.113	-1.987	1	0		AAAFMM
C[C@@H](NC(=O)[C@H](N)[C@@H](C)O)C(=O)[O-]	69485982	574415550	/nfs/dbraw/zinc/41/55/50/574415550.db2.gz	VPZKQTYZIVOJDV-UOWFLXDJSA-N	-1	1	190.199	-1.716	1	0	endogenous,in-vitro	AAAFMM
CC(NC(=O)[C@@H](N)CO)C(=O)[O-]	69487850	574416206	/nfs/dbraw/zinc/41/62/06/574416206.db2.gz	ZCDCEVDXTXMCFR-BYPYZUCNSA-N	-1	1	176.172	-1.273	1	0	endogenous,in-vitro	AAAFMM
CC(NC(=O)[C@H](N)CO)C(=O)[O-]	69487847	574416223	/nfs/dbraw/zinc/41/62/23/574416223.db2.gz	ZCDCEVDXTXMCFR-SCSAIBSYSA-N	-1	1	176.172	-1.273	1	0	endogenous,in-vitro	AAAFMM
N[C@H](CO)C(=O)NCC(=O)[O-]	69487889	574416238	/nfs/dbraw/zinc/41/62/38/574416238.db2.gz	CMXZPRIUQYVCDX-GSVOUGTGSA-N	-1	1	162.145	-1.663	1	0	endogenous,in-vitro	AAAFMM
N[C@@H](CO)C(=O)NCC(=O)[O-]	69487892	574416244	/nfs/dbraw/zinc/41/62/44/574416244.db2.gz	CMXZPRIUQYVCDX-VKHMYHEASA-N	-1	1	162.145	-1.663	1	0	endogenous,in-vitro	AAAFMM
C[C@@H](O)[C@H](N)C(=O)NCC(=O)[O-]	100388196	574418230	/nfs/dbraw/zinc/41/82/30/574418230.db2.gz	CTAPYGCYBLUYFY-WUJLRWPWSA-N	-1	1	176.172	-1.274	1	0	endogenous,in-vitro	AAAFMM
N[C@@H](CO)C(=O)NC(CO)C(=O)[O-]	100388035	574418126	/nfs/dbraw/zinc/41/81/26/574418126.db2.gz	IIWFOKJWWYERND-VKHMYHEASA-N	-1	1	192.171	-2.300	1	0	endogenous,in-vitro	AAAFMM
N[C@H](CO)C(=O)NC(CO)C(=O)[O-]	100388030	574418136	/nfs/dbraw/zinc/41/81/36/574418136.db2.gz	IIWFOKJWWYERND-GSVOUGTGSA-N	-1	1	192.171	-2.300	1	0	endogenous,in-vitro	AAAFMM
C[C@H](O)[C@H](N)C(=O)NCC(=O)[O-]	100388200	574418192	/nfs/dbraw/zinc/41/81/92/574418192.db2.gz	CTAPYGCYBLUYFY-UCORVYFPSA-N	-1	1	176.172	-1.274	1	0	endogenous,in-vitro	AAAFMM
C[C@H](O)[C@@H](N)C(=O)NCC(=O)[O-]	100388191	574418208	/nfs/dbraw/zinc/41/82/08/574418208.db2.gz	CTAPYGCYBLUYFY-WVZVXSGGSA-N	-1	1	176.172	-1.274	1	0	endogenous,in-vitro	AAAFMM
C[C@@H](O)[C@@H](N)C(=O)NCC(=O)[O-]	100388187	574418216	/nfs/dbraw/zinc/41/82/16/574418216.db2.gz	CTAPYGCYBLUYFY-NQXXGFSBSA-N	-1	1	176.172	-1.274	1	0	endogenous,in-vitro	AAAFMM
[NH2+]=C(C[P@](=O)([O-])O)NCC(=O)[O-]	25978973	169136069	/nfs/dbraw/zinc/13/60/69/169136069.db2.gz	PJTLWMQGQOBZDB-UHFFFAOYSA-N	-1	1	196.099	-1.184	1	0		AAAFMM
[NH2+]=C(C[P@@](=O)([O-])O)NCC(=O)[O-]	25978973	169136071	/nfs/dbraw/zinc/13/60/71/169136071.db2.gz	PJTLWMQGQOBZDB-UHFFFAOYSA-N	-1	1	196.099	-1.184	1	0		AAAFMM
N[C@@H](C(=O)[O-])[C@H]1ON=C(Cl)[C@@H]1O	6494778	169241879	/nfs/dbraw/zinc/24/18/79/169241879.db2.gz	KUYDILDQEMQBKJ-ADNNCPOWSA-N	-1	1	194.574	-1.290	1	0		AAAFMM
N[C@@H](C(=O)[O-])[C@@H]1ON=C(Cl)[C@@H]1O	14413174	169241996	/nfs/dbraw/zinc/24/19/96/169241996.db2.gz	KUYDILDQEMQBKJ-RBVZJJKUSA-N	-1	1	194.574	-1.290	1	0		AAAFMM
O=CN(O)COC[P@](=O)([O-])O	29057595	169397523	/nfs/dbraw/zinc/39/75/23/169397523.db2.gz	TVTCAFQKRUWBFZ-UHFFFAOYSA-N	-1	1	185.072	-1.057	1	0		AAAFMM
Nc1nc2[nH]c(=S)[nH]c2c(=O)[n-]1	53244625	171098718	/nfs/dbraw/zinc/09/87/18/171098718.db2.gz	QZACDTSNHPJXQC-SFOWXEAESA-N	-1	1	183.196	-1.914	1	0		AAAFMM
Nc1nc2[nH]c(=S)[nH]c2c(=O)[n-]1	53244624	171098740	/nfs/dbraw/zinc/09/87/40/171098740.db2.gz	QZACDTSNHPJXQC-PVQJCKRUSA-N	-1	1	183.196	-1.914	1	0		AAAFMM