smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+][C@](CO)(CCc1ccc(Sc2cccc(OCc3ccccc3)c2)cc1Cl)CO[P@](=O)([O-])O	ZINC000003986988	552424888	/nfs/dbraw/zinc/42/48/88/552424888.db2.gz	JZHXIFZZZFFZBQ-DEOSSOPVSA-N	0	2	523.975	4.802	10	0	in-vitro	KJAELN
[NH3+][C@](CO)(CCc1ccc(Sc2cccc(OCc3ccccc3)c2)cc1Cl)CO[P@@](=O)([O-])O	ZINC000003986988	552424887	/nfs/dbraw/zinc/42/48/87/552424887.db2.gz	JZHXIFZZZFFZBQ-DEOSSOPVSA-N	0	2	523.975	4.802	10	0	in-vitro	KJAELN
CCOP(=O)(NC(=S)Nc1ccc(NC(=S)NP(=O)(OCC)OCC)c(OC)c1)OCC	ZINC000004213544	561694237	/nfs/dbraw/zinc/69/42/37/561694237.db2.gz	ZEFLNAWBWJVMFX-UHFFFAOYSA-N	0	2	528.530	4.630	10	0	in-man	KJAELN
[NH3+][C@@](CO)(CCc1ccc(Sc2cccc(OCc3ccccc3)c2)cc1Cl)CO[P@](=O)([O-])O	ZINC000013977769	553498845	/nfs/dbraw/zinc/49/88/45/553498845.db2.gz	JZHXIFZZZFFZBQ-XMMPIXPASA-N	0	2	523.975	4.802	10	0	in-vitro	KJAELN
[NH3+][C@@](CO)(CCc1ccc(Sc2cccc(OCc3ccccc3)c2)cc1Cl)CO[P@@](=O)([O-])O	ZINC000013977769	553498842	/nfs/dbraw/zinc/49/88/42/553498842.db2.gz	JZHXIFZZZFFZBQ-XMMPIXPASA-N	0	2	523.975	4.802	10	0	in-vitro	KJAELN
C/C=C(\C)C(=O)O[C@@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)C[C@H](C)[C@@]1(C)O	ZINC000015262612	291853581	/nfs/dbraw/zinc/85/35/81/291853581.db2.gz	BKGUPIVDQHHVMV-TWJXSMCESA-N	0	2	514.571	4.610	10	0	biogenic,in-vitro	KJAELN
CCCCCc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3cncc(OC)n3)cc2)cc1	ZINC000020582719	553676680	/nfs/dbraw/zinc/67/66/80/553676680.db2.gz	LGJMGPCZZMXZFK-UHFFFAOYSA-N	0	2	500.646	4.750	10	0		KJAELN
O=C(Nc1ccc(Br)cc1)c1cc(I)cc(I)c1O	ZINC000028863510	561972367	/nfs/dbraw/zinc/97/23/67/561972367.db2.gz	RNHXQTWGVSBLIB-UHFFFAOYSA-N	0	2	543.924	4.616	10	0		KJAELN
CCCC[C@H](C(=O)[O-])N(C(=O)[C@H]([NH3+])Cc1cn(C(=O)OC)c2ccccc12)C(=O)[C@H](CC(C)(C)C)NC(=O)N1[C@H](C)CCC[C@@H]1C	ZINC000065731199	554526890	/nfs/dbraw/zinc/52/68/90/554526890.db2.gz	LNGMSNLRAISCCZ-IITZRFRKSA-N	0	2	641.810	4.902	10	0	in-vitro	KJAELN
CCCc1[nH+]c2c(cc(-c3nc4ccccc4n3C)cc2C)n1Cc1ccc(-c2ccccc2C(=O)O[C@@H]2O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)cc1	ZINC000072133976	553643981	/nfs/dbraw/zinc/64/39/81/553643981.db2.gz	RCOBUBSULFIXAR-QQPFWGBFSA-N	0	2	690.753	4.615	10	0		KJAELN
CCCc1[nH+]c2c(cc(-c3nc4ccccc4n3C)cc2C)n1Cc1ccc(-c2ccccc2C(=O)O[C@H]2O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]2O)cc1	ZINC000077313288	553664522	/nfs/dbraw/zinc/66/45/22/553664522.db2.gz	RCOBUBSULFIXAR-CPUXHBFLSA-N	0	2	690.753	4.615	10	0	in-vitro	KJAELN
C/C=C(\C)C(=O)O[C@H]1C[C@@H](O)[C@@]2(C)CO[C@@H]3[C@@H]2[C@@]1(C)[C@@H](CC(=O)OC)[C@]1(C)C2=C(C)[C@H](c4ccoc4)C[C@H]2O[C@H]31	ZINC000096085756	291853572	/nfs/dbraw/zinc/85/35/72/291853572.db2.gz	MJNRBOGIPLCVIM-LJEOTECVSA-N	0	2	554.680	4.720	10	0	biogenic,in-vitro	KJAELN
CC(C)(C)OC(=O)[C@]1(Cn2cc[nH+]c2)C[C@H](C(=O)[O-])[C@H](c2cccs2)N1C(=O)OCc1ccccc1	ZINC000097100462	553758200	/nfs/dbraw/zinc/75/82/00/553758200.db2.gz	RATHPSBOJRIUPZ-JDRJUVJTSA-N	0	2	511.600	4.510	10	0		KJAELN
COc1c(=O)cc2oc(-c3cc(CC[C@H](C)COC=O)c4c(c3)CCC(C)(C)O4)c(OC)c(O)c-2c1O	ZINC000102165645	554890361	/nfs/dbraw/zinc/89/03/61/554890361.db2.gz	BMIYNOPDDLPHPG-HNNXBMFYSA-N	0	2	512.555	4.734	10	0		KJAELN
COc1c(=O)cc2oc(-c3cc(CC[C@@H](C)COC=O)c4c(c3)CCC(C)(C)O4)c(OC)c(O)c-2c1O	ZINC000102165650	554890443	/nfs/dbraw/zinc/89/04/43/554890443.db2.gz	BMIYNOPDDLPHPG-OAHLLOKOSA-N	0	2	512.555	4.734	10	0		KJAELN
O=C(CCc1n[nH]c(-c2ccc(OCc3cccc(F)c3)cc2)nc1=O)NCc1cccc(C(F)(F)F)c1	ZINC000102212859	554897127	/nfs/dbraw/zinc/89/71/27/554897127.db2.gz	VRBSGWZMZPMRHO-UHFFFAOYSA-N	0	2	526.490	4.818	10	0		KJAELN
CCc1nnc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccccc3OCc3ccccc3)cc2)s1	ZINC000103606084	555454846	/nfs/dbraw/zinc/45/48/46/555454846.db2.gz	NHXHJYVOVIALMH-UHFFFAOYSA-N	0	2	553.691	4.607	10	0		KJAELN
CC(C)(C)OC(=O)[C@]1(Cn2cc[nH+]c2)C[C@@H](C(=O)[O-])[C@H](c2cccs2)N1C(=O)OCc1ccccc1	ZINC000215157505	571583441	/nfs/dbraw/zinc/58/34/41/571583441.db2.gz	RATHPSBOJRIUPZ-NYUJMHJJSA-N	0	2	511.600	4.510	10	0		KJAELN
Cc1[nH]n(-c2ccccc2)c(=O)c1C1(c2c(C)[nH]n(-c3ccccc3)c2=O)C(C)=NN(c2ccccc2)C1=O	ZINC000215995978	571591340	/nfs/dbraw/zinc/59/13/40/571591340.db2.gz	SFQAQCHENSXLFJ-UHFFFAOYSA-N	0	2	518.577	4.795	10	0		KJAELN
Cc1cccc(CN(C(=O)c2ccc(F)cc2)[C@H]2CC[C@H](NC(=O)C3CCN(C(=O)N(C)C)CC3)CC2)c1	ZINC000245326517	572233055	/nfs/dbraw/zinc/23/30/55/572233055.db2.gz	FPQGXLOYTSNHDO-MCZWQBSQSA-N	0	2	522.665	4.598	10	0		KJAELN
CC(C)(C)OC(=O)[C@]1(Cn2cc[nH+]c2)C[C@@H](C(=O)[O-])[C@@H](c2cccs2)N1C(=O)OCc1ccccc1	ZINC000407987035	572156476	/nfs/dbraw/zinc/15/64/76/572156476.db2.gz	RATHPSBOJRIUPZ-BNIKKZEQSA-N	0	2	511.600	4.510	10	0		KJAELN
CC(C)(C)OC(=O)[C@]1(Cn2cc[nH+]c2)C[C@H](C(=O)[O-])[C@@H](c2cccs2)N1C(=O)OCc1ccccc1	ZINC000407987037	572156392	/nfs/dbraw/zinc/15/63/92/572156392.db2.gz	RATHPSBOJRIUPZ-HEKZAOSPSA-N	0	2	511.600	4.510	10	0		KJAELN