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([O-])CC[C@H](n1ccnn1)P(=O)([O-])[O-]	ZINC000095595163	185013865	/nfs/dbraw/zinc/01/38/65/185013865.db2.gz	QNIWJIBJYINTNF-SSDOTTSWSA-N	-3	3	264.178	-0.418	1	30		CBEFHL
CC(=O)N(O)CC[C@H](n1ccnn1)P(=O)([O-])[O-]	ZINC000095595163	185013867	/nfs/dbraw/zinc/01/38/67/185013867.db2.gz	QNIWJIBJYINTNF-SSDOTTSWSA-N	-2	3	264.178	-0.418	1	30		CBEFHL
O=C([O-])CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[O-]	ZINC000029485504	171600927	/nfs/dbraw/zinc/60/09/27/171600927.db2.gz	NZANRTNJFDQLKN-VIFPVBQESA-N	-2	3	266.253	-0.306	1	30		CBEFHL
N[C@H](CCC(=O)[O-])C(=O)NC(CS)C(=O)[O-]	ZINC000100386549	571805343	/nfs/dbraw/zinc/80/53/43/571805343.db2.gz	HWMSZWPAGFZMIQ-SCSAIBSYSA-N	-2	3	250.276	-0.490	1	30	endogenous,in-vitro	CBEFHL
O=C1c2ccc([O-])cc2C(=O)N1[C@H]1CCC(=O)N([O-])C1=O	ZINC000038602223	174149110	/nfs/dbraw/zinc/14/91/10/174149110.db2.gz	RLBGOICZNMULCW-VIFPVBQESA-N	-2	3	290.231	-0.105	1	30	in-vivo	CBEFHL
Cc1[n-]n(-c2ncc(C#N)c(=O)[n-]2)c(=O)c1CCO	ZINC000009682962	170384221	/nfs/dbraw/zinc/38/42/21/170384221.db2.gz	DZWFSJJETCGGST-UHFFFAOYSA-N	-2	3	261.241	-0.624	1	30		CBEFHL
O=C1c2ccc([O-])cc2C(=O)N1[C@@H]1CCC(=O)N([O-])C1=O	ZINC000038602222	174149210	/nfs/dbraw/zinc/14/92/10/174149210.db2.gz	RLBGOICZNMULCW-SECBINFHSA-N	-2	3	290.231	-0.105	1	30	in-vivo	CBEFHL
N[C@H](CS)C(=O)NC(CCC(=O)[O-])C(=O)[O-]	ZINC000069486617	574415790	/nfs/dbraw/zinc/41/57/90/574415790.db2.gz	KEJQGBNVHURVHE-SCSAIBSYSA-N	-2	3	250.276	-0.490	1	30	endogenous,in-vitro	CBEFHL
CC(=O)N([O-])CC[C@@H](n1ccnn1)P(=O)([O-])[O-]	ZINC000095595162	185014338	/nfs/dbraw/zinc/01/43/38/185014338.db2.gz	QNIWJIBJYINTNF-ZETCQYMHSA-N	-3	3	264.178	-0.418	1	30		CBEFHL
CC(=O)N(O)CC[C@@H](n1ccnn1)P(=O)([O-])[O-]	ZINC000095595162	185014339	/nfs/dbraw/zinc/01/43/39/185014339.db2.gz	QNIWJIBJYINTNF-ZETCQYMHSA-N	-2	3	264.178	-0.418	1	30		CBEFHL
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)/C(=N/[O-])[C@H]2SC1	ZINC000040431285	174260113	/nfs/dbraw/zinc/26/01/13/174260113.db2.gz	LGBVFRCIYFGIKI-NJQKBMNKSA-N	-2	3	286.265	-0.367	1	30		CBEFHL
N[C@@H](CS)C(=O)NC(CCC(=O)[O-])C(=O)[O-]	ZINC000069486613	574415794	/nfs/dbraw/zinc/41/57/94/574415794.db2.gz	KEJQGBNVHURVHE-BYPYZUCNSA-N	-2	3	250.276	-0.490	1	30	endogenous,in-vitro	CBEFHL
N[C@@H](CCC(=O)[O-])C(=O)NC(CS)C(=O)[O-]	ZINC000100386553	574417634	/nfs/dbraw/zinc/41/76/34/574417634.db2.gz	HWMSZWPAGFZMIQ-BYPYZUCNSA-N	-2	3	250.276	-0.490	1	30	endogenous,in-vitro	CBEFHL
[O-]C(O)(C(F)F)C(F)(F)C([O-])([O-])C(F)(F)F	ZINC000139982797	351924644	/nfs/dbraw/zinc/92/46/44/351924644.db2.gz	NFXARNCSAQXFHD-UHFFFAOYSA-N	-3	3	262.077	-0.189	2	30		CBEFHL
O=C([O-])C(=O)C=Cc1c(=O)cc([O-])[nH]c1C(=O)[O-]	ZINC000005955023	560203947	/nfs/dbraw/zinc/20/39/47/560203947.db2.gz	BKJRVOGPUXJCOY-OWOJBTEDSA-N	-3	3	253.166	-0.554	1	30	in-vitro	CBEFHL