smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])/C=C/c1ccc(N2CCCN(c3ccc(/C=C/C(=O)[O-])cc3)C2=O)cc1	ZINC000103246175	136191078	/nfs/dbraw/zinc/19/10/78/136191078.db2.gz	AJRRKVZDUNIZFE-PWHKKFIBSA-N	-2	0	392.411	3.719	1	0		GHAFRL
O=C([O-])CSc1ccc([N-]S(=O)(=O)c2cccs2)c2ccccc12	ZINC000084669855	205398087	/nfs/dbraw/zinc/39/80/87/205398087.db2.gz	YHFFQGNJFRJYSR-UHFFFAOYSA-N	-2	0	379.484	3.879	1	0		GHAFRL
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OS(=O)(=O)[O-])CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)[O-]	ZINC000005892212	204155974	/nfs/dbraw/zinc/15/59/74/204155974.db2.gz	VEPHSKOXIHKFBU-WQBJWTDHSA-N	-2	0	398.521	3.838	1	0		GHAFRL
O=C([O-])C(C(=O)[O-])[C@@H](CC(=O)c1ccc(Br)cc1)c1ccccc1	ZINC000095576888	205501159	/nfs/dbraw/zinc/50/11/59/205501159.db2.gz	WOYLMRVRCXRNSN-AWEZNQCLSA-N	-2	0	391.217	3.591	1	0		GHAFRL
Nc1cccc2c1nc(-c1ccc(P(=O)([O-])[O-])o1)n2CC1CCCCCC1	ZINC000045258222	205094601	/nfs/dbraw/zinc/09/46/01/205094601.db2.gz	OHBBLPCMDGOLMN-UHFFFAOYSA-N	-2	0	389.392	3.652	1	0		GHAFRL
O=C([O-])/C=C/c1cccc(N2CCCN(c3cccc(/C=C/C(=O)[O-])c3)C2=O)c1	ZINC000103246172	136191110	/nfs/dbraw/zinc/19/11/10/136191110.db2.gz	KRAWKQLJFSFXIY-GFULKKFKSA-N	-2	0	392.411	3.719	1	0		GHAFRL
O=C([O-])COc1c(Br)c(-c2ccc3cc[nH]c3c2)sc1C(=O)[O-]	ZINC000014955107	204545212	/nfs/dbraw/zinc/54/52/12/204545212.db2.gz	GLRIHXMJRAAYHS-UHFFFAOYSA-N	-2	0	396.218	3.821	1	0		GHAFRL
Cc1cccc(C[C@H](COP(=O)([O-])[O-])NC(=O)c2ccc3ccccc3c2)c1	ZINC000006716411	204194605	/nfs/dbraw/zinc/19/46/05/204194605.db2.gz	CPOXAOVAIWHBEU-HXUWFJFHSA-N	-2	0	399.383	3.599	1	0		GHAFRL
Cc1occ(-c2c([O-])cc3oc(-c4ccccc4)cc(=O)c3c2[O-])c(=O)c1O	ZINC000095486324	291133742	/nfs/dbraw/zinc/13/37/42/291133742.db2.gz	JOIFFCDJRAJYJI-UHFFFAOYSA-N	-2	0	378.336	3.505	1	0	biogenic,in-vitro	GHAFRL
O=C([O-])C1=C(NC(=O)CCc2noc3c2ccc2c(F)c(O)ccc32)CCCC1	ZINC000040937980	205075399	/nfs/dbraw/zinc/07/53/99/205075399.db2.gz	JCDKFNXXFDJBPG-UHFFFAOYSA-N	-2	0	398.390	3.787	1	0		GHAFRL
O=C([O-])/C=C/C(=O)Nc1ccc(C(=O)[O-])c(Nc2cccc(C(F)(F)F)c2)c1	ZINC000029133660	204888436	/nfs/dbraw/zinc/88/84/36/204888436.db2.gz	RDLWYLITKWMZLV-VOTSOKGWSA-N	-2	0	394.305	3.727	1	0		GHAFRL
Nc1ccccc1C(=O)Nc1ccccc1Oc1ccc(C(=O)[O-])c(C(=O)[O-])c1	ZINC000084758408	205399998	/nfs/dbraw/zinc/39/99/98/205399998.db2.gz	YHBGYJSCROQXQP-UHFFFAOYSA-N	-2	0	392.367	3.710	1	0		GHAFRL
O=C([O-])Cc1ccc(Nc2nc3cc(C(F)(F)F)ccc3nc2C(=O)[O-])cc1	ZINC000001860293	206393649	/nfs/dbraw/zinc/39/36/49/206393649.db2.gz	AZOAVMLDDAOPKA-UHFFFAOYSA-N	-2	0	391.305	3.718	1	0		GHAFRL
O=C([O-])C(C(=O)[O-])[C@H](CC(=O)c1ccc(Br)cc1)c1ccccc1	ZINC000095576887	208233768	/nfs/dbraw/zinc/23/37/68/208233768.db2.gz	WOYLMRVRCXRNSN-CQSZACIVSA-N	-2	0	391.217	3.591	1	0		GHAFRL
CC(C)(C)c1ccc(-c2sc(N)nc2-c2ccc(P(=O)([O-])[O-])o2)cc1	ZINC000066112054	211002662	/nfs/dbraw/zinc/00/26/62/211002662.db2.gz	FXIVTBCZZKPVNI-UHFFFAOYSA-N	-2	0	378.390	3.753	1	0		GHAFRL
O=C([O-])C(=O)N(c1ccccc1Cc1ccccc1)c1ccccc1C(=O)[O-]	ZINC000013519753	210064449	/nfs/dbraw/zinc/06/44/49/210064449.db2.gz	AIRWUUDFTYLFDG-UHFFFAOYSA-N	-2	0	375.380	3.725	1	0		GHAFRL
Cc1c(CC(=O)[O-])c2cc(OCCCC(=O)[O-])ccc2n1Cc1ccccc1	ZINC000013446198	210061043	/nfs/dbraw/zinc/06/10/43/210061043.db2.gz	OPTKWFXPTZYQAD-UHFFFAOYSA-N	-2	0	381.428	3.869	1	0		GHAFRL
CC(C)=CCC/C(C)=C/CC[N@H+](C)CCCO[P@](=O)([O-])OP(=O)([O-])[O-]	ZINC000013473660	210063624	/nfs/dbraw/zinc/06/36/24/210063624.db2.gz	PNEIVJAQBZSMGD-XNTDXEJSSA-N	-2	0	399.361	3.617	1	0	in-vitro	GHAFRL
O=C([O-])C(=O)N(c1cccc2ccc(O)cc21)c1cc(Cl)ccc1C(=O)[O-]	ZINC000043079513	210805082	/nfs/dbraw/zinc/80/50/82/210805082.db2.gz	CGPOFRJZJYEGBQ-UHFFFAOYSA-N	-2	0	385.759	3.646	1	0		GHAFRL
CC(/C=C/C1=C(C)CCCC1(C)C)=C\C=C\C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000043059024	210804667	/nfs/dbraw/zinc/80/46/67/210804667.db2.gz	XTCJEHYZKYXSAC-LWABFFNYSA-N	-2	0	375.465	3.616	1	0		GHAFRL
C=C1N=C(C(=O)[O-])C(C(=O)[O-])[C@@H](c2ccccc2Cl)C1C(=O)OC(C)C	ZINC000027083022	581094390	/nfs/dbraw/zinc/09/43/90/581094390.db2.gz	NZFJHCGEXPZMDD-HTMJNSLASA-N	-2	0	379.796	3.516	1	0		GHAFRL
O=C([O-])Cc1cccc(Oc2ccccc2[N-]S(=O)(=O)c2ccccc2)c1	ZINC000084617525	222318683	/nfs/dbraw/zinc/31/86/83/222318683.db2.gz	YVKIWFSALXZQGO-UHFFFAOYSA-N	-2	0	383.425	3.907	1	0		GHAFRL
C=C1N=C(C(=O)[O-])C(C(=O)[O-])[C@H](c2ccccc2Cl)C1C(=O)OC(C)C	ZINC000027083017	581094381	/nfs/dbraw/zinc/09/43/81/581094381.db2.gz	NZFJHCGEXPZMDD-RNEAKCBISA-N	-2	0	379.796	3.516	1	0		GHAFRL
O=C([O-])C(=O)Nc1cc(-c2ccc(Oc3ccccc3)cc2)sc1C(=O)[O-]	ZINC000013491459	221270377	/nfs/dbraw/zinc/27/03/77/221270377.db2.gz	LRZVFEWCOSKVDT-UHFFFAOYSA-N	-2	0	383.381	3.929	1	0		GHAFRL