smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[C@@H](NC(=O)Cn1ccc2c(=O)[nH]c(=O)[n-]c2c1=O)C(=O)C(F)(F)F	ZINC000001538428	209332866	/nfs/dbraw/zinc/33/28/66/209332866.db2.gz	QADJONDJPFYFSA-SECBINFHSA-N	-1	1	388.302	-0.350	1	0		GBAFMM
[NH3+][C@@H](CCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[P@](=O)([O-])O)C(=O)[O-]	ZINC000001856584	206393220	/nfs/dbraw/zinc/39/32/20/206393220.db2.gz	WWJKGAUJDBLIOQ-RYUDHWBXSA-N	-1	1	387.329	-0.843	1	0		GBAFMM
[NH3+][C@@H](CCC(=O)N[C@H](Cc1ccccc1)C(=O)NC[P@](=O)([O-])O)C(=O)[O-]	ZINC000001856585	206393126	/nfs/dbraw/zinc/39/31/26/206393126.db2.gz	WWJKGAUJDBLIOQ-NWDGAFQWSA-N	-1	1	387.329	-0.843	1	0		GBAFMM
O=c1[n-]c(=O)n(COCCO)c(I)c1Br	ZINC000005828821	204153480	/nfs/dbraw/zinc/15/34/80/204153480.db2.gz	YAWJAJCLFDAVNE-UHFFFAOYSA-N	-1	1	390.959	-0.130	1	0		GBAFMM
CC(C)[C@H](NC(=O)Cn1ccc2c(=O)[nH]c(=O)[n-]c2c1=O)C(=O)C(F)(F)F	ZINC000013746975	210087802	/nfs/dbraw/zinc/08/78/02/210087802.db2.gz	QADJONDJPFYFSA-VIFPVBQESA-N	-1	1	388.302	-0.350	1	0		GBAFMM
O=c1[n-]c(=O)c(Cl)c(N2CCN(c3[nH]c(=O)[nH]c(=O)c3Cl)CC2)[nH]1	ZINC000014972714	207037728	/nfs/dbraw/zinc/03/77/28/207037728.db2.gz	BNAYBOFZQFRSHC-UHFFFAOYSA-N	-1	1	375.172	-0.927	1	0		GBAFMM
CC(C)c1cc([O-])c2c(=O)cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc-2o1	ZINC000070455114	291094125	/nfs/dbraw/zinc/09/41/25/291094125.db2.gz	SSCRSMIEYROIGW-LHKMKVQPSA-N	-1	1	382.365	-0.199	1	0	biogenic,in-vitro	GBAFMM
CCCc1cc([O-])c2c(=O)cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc-2o1	ZINC000070455119	291094710	/nfs/dbraw/zinc/09/47/10/291094710.db2.gz	HHSVKVXBLDSRCL-LHKMKVQPSA-N	-1	1	382.365	-0.370	1	0	biogenic,in-vitro	GBAFMM
COCCNc1nc(N)nc2c1ncn2C[C@H](CF)OC[P@](=O)([O-])O	ZINC000071318833	205281056	/nfs/dbraw/zinc/28/10/56/205281056.db2.gz	OUXUULYMVFKSDW-QMMMGPOBSA-N	-1	1	378.301	-0.043	1	0		GBAFMM
COCCNc1nc(N)nc2c1ncn2C[C@@H](CF)OC[P@](=O)([O-])O	ZINC000071329885	211046022	/nfs/dbraw/zinc/04/60/22/211046022.db2.gz	OUXUULYMVFKSDW-MRVPVSSYSA-N	-1	1	378.301	-0.043	1	0		GBAFMM
C[C@H]([NH2+][C@H](CNC(=O)c1ccccc1)C(=O)[O-])C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000095555672	222354966	/nfs/dbraw/zinc/35/49/66/222354966.db2.gz	MODSILRAHWLEIJ-YUTCNCBUSA-N	-1	1	377.397	-0.077	1	0		GBAFMM
COC(=O)CCC[N@@H+](CCn1cnc2c1nc[nH]c2=O)CCP(=O)([O-])[O-]	ZINC000095574115	211278137	/nfs/dbraw/zinc/27/81/37/211278137.db2.gz	KUXXFYBBWZPEAU-UHFFFAOYSA-N	-1	1	387.333	-0.448	1	0		GBAFMM
COC(=O)CCC[N@H+](CCn1cnc2c1nc[nH]c2=O)CCP(=O)([O-])[O-]	ZINC000095574115	211278135	/nfs/dbraw/zinc/27/81/35/211278135.db2.gz	KUXXFYBBWZPEAU-UHFFFAOYSA-N	-1	1	387.333	-0.448	1	0		GBAFMM
O=c1ccc2c(O[C@@H]3O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]3O)c([O-])c3occc3c2o1	ZINC000095911708	291098301	/nfs/dbraw/zinc/09/83/01/291098301.db2.gz	IRXXSCSYYWHGOR-LVRMRHJISA-N	-1	1	380.305	-0.577	1	0	biogenic,in-vitro	GBAFMM