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@H](C)C[C@@H](C)C[C@H](CO)C[C@@H](C)/C=C(C)/C=C(/C[C@@H](C)C(=O)[O-])C(=O)[O-]	ZINC000035458176	204227232	/nfs/dbraw/zinc/22/72/32/204227232.db2.gz	NNPPLRJHBQPBAQ-YFMMKRGLSA-N	-2	0	396.568	5.152	40	0	biogenic,in-vitro	GKABRL
C[C@@H](SCCCCCCCCCCCCS[C@@H](C)C(=O)[O-])C(=O)[O-]	ZINC000017140550	210206604	/nfs/dbraw/zinc/20/66/04/210206604.db2.gz	CKUFZYWNDORJHH-IYBDPMFKSA-N	-2	0	378.600	5.300	40	0		GKABRL
O=C([O-])CCSCCCCCCCCCCCCSCCC(=O)[O-]	ZINC000005501090	209598644	/nfs/dbraw/zinc/59/86/44/209598644.db2.gz	JUHXKXVSXLVQQU-UHFFFAOYSA-N	-2	0	378.600	5.303	40	0		GKABRL
Cc1cc(C)c([C@@H](CC(=O)[O-])[C@H](CC(=O)[O-])c2c(C)cc(C)cc2C)c(C)c1	ZINC000001611627	209334121	/nfs/dbraw/zinc/33/41/21/209334121.db2.gz	NASMNRUMMHLTJE-PMACEKPBSA-N	-2	0	382.500	5.354	40	0		GKABRL
C[C@H](SCCCCCCCCCCCCS[C@@H](C)C(=O)[O-])C(=O)[O-]	ZINC000005519591	204137057	/nfs/dbraw/zinc/13/70/57/204137057.db2.gz	CKUFZYWNDORJHH-HOTGVXAUSA-N	-2	0	378.600	5.300	40	0		GKABRL
CSC(=S)[N-]c1ccc(Oc2ccc([N-]C(=S)SC)cc2)cc1	ZINC000004235697	570363767	/nfs/dbraw/zinc/36/37/67/570363767.db2.gz	ALUTVLGBHZUOON-UHFFFAOYSA-N	-2	0	380.585	5.599	40	0		GKABRL
CC[C@H](C)C[C@H](C)C[C@H](CO)C[C@@H](C)/C=C(C)/C=C(/C[C@@H](C)C(=O)[O-])C(=O)[O-]	ZINC000035458183	560081678	/nfs/dbraw/zinc/08/16/78/560081678.db2.gz	NNPPLRJHBQPBAQ-PKVHAEHBSA-N	-2	0	396.568	5.152	40	0	biogenic,in-vitro	GKABRL
C[C@@H](SCCCCCCCCCCCCS[C@H](C)C(=O)[O-])C(=O)[O-]	ZINC000005519603	570443993	/nfs/dbraw/zinc/44/39/93/570443993.db2.gz	CKUFZYWNDORJHH-HZPDHXFCSA-N	-2	0	378.600	5.300	40	0		GKABRL
CSC(=S)[N-]c1ccc(/C=C/C2=CC[C@@H]([N-]C(=S)SC)C=C2)cc1	ZINC000004235695	204032950	/nfs/dbraw/zinc/03/29/50/204032950.db2.gz	HQWYEFWOWWPYJO-CWDCEQMOSA-N	-2	0	392.640	5.252	40	0		GKABRL
O=C([O-])CC(CCc1cccc2ccccc21)(CC[C@H]1CCCCO1)CC(=O)[O-]	ZINC000095868315	222360740	/nfs/dbraw/zinc/36/07/40/222360740.db2.gz	IMTYKPQOVURALK-HXUWFJFHSA-N	-2	0	398.499	5.058	40	0		GKABRL
CSC(=S)[N-]c1ccc(/C=C/C2=CC[C@H]([N-]C(=S)SC)C=C2)cc1	ZINC000004235694	570363887	/nfs/dbraw/zinc/36/38/87/570363887.db2.gz	HQWYEFWOWWPYJO-QDLOVBKTSA-N	-2	0	392.640	5.252	40	0		GKABRL
O=C([O-])CCCCCSCCCCCCSCCCCCC(=O)[O-]	ZINC000005501163	204135911	/nfs/dbraw/zinc/13/59/11/204135911.db2.gz	WFNXCJRHXVUTII-UHFFFAOYSA-N	-2	0	378.600	5.303	40	0		GKABRL
CC[C@@H](C)C[C@H](C)C[C@H](CO)C[C@@H](C)/C=C(C)/C=C(/C[C@@H](C)C(=O)[O-])C(=O)[O-]	ZINC000035458178	204227389	/nfs/dbraw/zinc/22/73/89/204227389.db2.gz	NNPPLRJHBQPBAQ-FPRKYTDLSA-N	-2	0	396.568	5.152	40	0	biogenic,in-vitro	GKABRL
Cc1cc(C)c([C@H](CC(=O)[O-])[C@@H](CC(=O)[O-])c2c(C)cc(C)cc2C)c(C)c1	ZINC000001611626	206387042	/nfs/dbraw/zinc/38/70/42/206387042.db2.gz	NASMNRUMMHLTJE-WOJBJXKFSA-N	-2	0	382.500	5.354	40	0		GKABRL
CC[C@@H](C)C[C@@H](C)C[C@H](CO)C[C@@H](C)/C=C(C)/C=C(/C[C@@H](C)C(=O)[O-])C(=O)[O-]	ZINC000035458172	221824363	/nfs/dbraw/zinc/82/43/63/221824363.db2.gz	NNPPLRJHBQPBAQ-WGWWTTLCSA-N	-2	0	396.568	5.152	40	0	biogenic,in-vitro	GKABRL
CC[C@H](C)C[C@H](C)C[C@H](CO)C[C@H](C)/C=C(C)/C=C(/C[C@@H](C)C(=O)[O-])C(=O)[O-]	ZINC000253389507	560039150	/nfs/dbraw/zinc/03/91/50/560039150.db2.gz	NNPPLRJHBQPBAQ-VMLROMBLSA-N	-2	0	396.568	5.152	40	0	biogenic,in-vitro	GKABRL
CC[C@H](C)C[C@H](C)C[C@H](CO)C[C@@H](C)/C=C(C)/C=C(/C[C@H](C)C(=O)[O-])C(=O)[O-]	ZINC000253389506	560039167	/nfs/dbraw/zinc/03/91/67/560039167.db2.gz	NNPPLRJHBQPBAQ-FJICHZLLSA-N	-2	0	396.568	5.152	40	0	biogenic,in-vitro	GKABRL
Cc1ccc(Nc2cc(C(=O)[O-])c(Nc3ccc(C)cc3)cc2C(=O)[O-])cc1	ZINC000001572312	209332285	/nfs/dbraw/zinc/33/22/85/209332285.db2.gz	FVLUGNOOEZYDNV-UHFFFAOYSA-N	-2	0	376.412	5.187	40	0		GKABRL
CSC(=S)[N-]c1ccc(Cc2ccc([N-]C(=S)SC)cc2)cc1	ZINC000004235699	220695027	/nfs/dbraw/zinc/69/50/27/220695027.db2.gz	DNDHEJNVEBDGAE-UHFFFAOYSA-N	-2	0	378.613	5.397	40	0		GKABRL
O=C([O-])c1ccccc1SC(Sc1ccccc1C(=O)[O-])c1ccccc1	ZINC000001599623	206386853	/nfs/dbraw/zinc/38/68/53/206386853.db2.gz	SFOJQSLWNUVXEK-UHFFFAOYSA-N	-2	0	396.489	5.666	40	0		GKABRL
O=C([O-])CC(CCc1cccc2ccccc21)(CC[C@@H]1CCCCO1)CC(=O)[O-]	ZINC000095868313	222361172	/nfs/dbraw/zinc/36/11/72/222361172.db2.gz	IMTYKPQOVURALK-FQEVSTJZSA-N	-2	0	398.499	5.058	40	0		GKABRL
CC(C)c1ccc(-c2nc(Nc3ccc(C(=O)[O-])cc3)sc2CC(=O)[O-])cc1	ZINC000408893066	528053623	/nfs/dbraw/zinc/05/36/23/528053623.db2.gz	FEPNLWBSVQCVBA-UHFFFAOYSA-N	-2	0	396.468	5.002	40	0		GKABRL
CC[C@H](C)C[C@H](C)C[C@H](CO)C[C@H](C)/C=C(C)/C=C(/C[C@H](C)C(=O)[O-])C(=O)[O-]	ZINC000253389505	560039149	/nfs/dbraw/zinc/03/91/49/560039149.db2.gz	NNPPLRJHBQPBAQ-FAKBHOIGSA-N	-2	0	396.568	5.152	40	0	biogenic,in-vitro	GKABRL
Cc1cc(C)c([C@H](CC(=O)[O-])[C@H](CC(=O)[O-])c2c(C)cc(C)cc2C)c(C)c1	ZINC000001611625	209333787	/nfs/dbraw/zinc/33/37/87/209333787.db2.gz	NASMNRUMMHLTJE-BGYRXZFFSA-N	-2	0	382.500	5.354	40	0		GKABRL