smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C(C)[C@@H]1CC(=O)c2c(O)c(C(C)C)c([O-])c(O)c2[C@@]1(C)CCC(=O)[O-]	ZINC000014817242	291074242	/nfs/dbraw/zinc/07/42/42/291074242.db2.gz	UJXCXNZYTUFKHP-YBTHPKLGSA-N	-2	3	362.422	3.828	1	30	biogenic,in-vitro	FHEFHL
COC1=C2C(C)(C)C(=O)CC[C@]2(C)c2c([O-])c3oc(C)cc3c([O-])c2C1=O	ZINC000095911295	291076637	/nfs/dbraw/zinc/07/66/37/291076637.db2.gz	PFEXJRQTPJBQFN-OAQYLSRUSA-N	-2	3	370.401	3.896	1	30	biogenic,in-vitro	FHEFHL
C=CCc1cc(/C=N\[O-])c(O)c(-c2cc(/C=N/[O-])c(O)c(CC=C)c2)c1	ZINC000043069568	205098981	/nfs/dbraw/zinc/09/89/81/205098981.db2.gz	NQPBBUUQUOPWDH-ZCJKAFFOSA-N	-2	3	352.390	3.838	1	30		FHEFHL
O=C(C=Cc1ccc(C=C2SC(=O)[N-]C2=O)cc1)c1ccccc1[O-]	ZINC000038267036	205039759	/nfs/dbraw/zinc/03/97/59/205039759.db2.gz	LULMUXFXDSSSRB-LFXKSGLVSA-N	-2	3	351.383	3.612	1	30		FHEFHL
CCCCCCCCc1ccc2[nH]c([C@H](N)COP(=O)([O-])[O-])nc2c1	ZINC000038149378	205039333	/nfs/dbraw/zinc/03/93/33/205039333.db2.gz	FZEKCWYSFVMPDZ-CQSZACIVSA-N	-2	3	369.402	3.575	1	30		FHEFHL
CCCCCCCCc1ccc2nc([C@H](N)COP(=O)([O-])[O-])[nH]c2c1	ZINC000038149378	205039337	/nfs/dbraw/zinc/03/93/37/205039337.db2.gz	FZEKCWYSFVMPDZ-CQSZACIVSA-N	-2	3	369.402	3.575	1	30		FHEFHL
O=S(=O)([N-]c1ccc2c(c1)/C(=N\[O-])c1ccccc1-2)c1cccc(F)c1	ZINC000063539218	205294327	/nfs/dbraw/zinc/29/43/27/205294327.db2.gz	OFNVBEJIAOUXJO-VZCXRCSSSA-N	-2	3	368.389	3.834	1	30		FHEFHL
Cc1cccc(C(=O)C=Cc2ccc(C=C3SC(=O)[N-]C3=O)cc2)c1[O-]	ZINC000095572467	209080753	/nfs/dbraw/zinc/08/07/53/209080753.db2.gz	MFORKUOFQIZSEM-LFXKSGLVSA-N	-2	3	365.410	3.921	1	30		FHEFHL
Cc1ccc(Cn2cc(C(=O)CC(=O)C(=O)[O-])c3c2cccc3[O-])c(C)c1	ZINC000102398758	222294964	/nfs/dbraw/zinc/29/49/64/222294964.db2.gz	AWFNIPNYHSUVOW-OCKHKDLRSA-N	-2	3	365.385	3.721	1	30		FHEFHL
O=C([O-])c1cc(Br)cc(C(=O)/C=C/c2ccsc2)c1[O-]	ZINC000066078040	221239935	/nfs/dbraw/zinc/23/99/35/221239935.db2.gz	ZBWWQZGIMUNOQB-OWOJBTEDSA-N	-2	3	353.193	3.811	1	30		FHEFHL
Cc1cccc(Cn2cc(C(=O)CC(=O)C(=O)[O-])c3c2cccc3[O-])c1C	ZINC000102397068	222295240	/nfs/dbraw/zinc/29/52/40/222295240.db2.gz	RLQRLTXYOSCLGD-OCKHKDLRSA-N	-2	3	365.385	3.721	1	30		FHEFHL
O=C([O-])c1cc(Br)cc(C(=O)/C=C/c2ccccc2F)c1[O-]	ZINC000066066287	221239313	/nfs/dbraw/zinc/23/93/13/221239313.db2.gz	FDWILVGSVZPDAZ-AATRIKPKSA-N	-2	3	365.154	3.888	1	30		FHEFHL
Cc1ccc(C)c(Cn2cc(C(=O)CC(=O)C(=O)[O-])c3c2cccc3[O-])c1	ZINC000102400200	222295435	/nfs/dbraw/zinc/29/54/35/222295435.db2.gz	FOVOUHPESVUBQF-OCKHKDLRSA-N	-2	3	365.385	3.721	1	30		FHEFHL
O=C([O-])c1cc(Br)cc(C(=O)/C=C/c2cccc(F)c2)c1[O-]	ZINC000066101449	221241408	/nfs/dbraw/zinc/24/14/08/221241408.db2.gz	QRBVIAAIJJAJEM-SNAWJCMRSA-N	-2	3	365.154	3.888	1	30		FHEFHL
Cc1cccc(C)c1Cn1cc(C(=O)CC(=O)C(=O)[O-])c2c1cccc2[O-]	ZINC000102397570	222295033	/nfs/dbraw/zinc/29/50/33/222295033.db2.gz	QWPSQFAXIOSKLJ-OCKHKDLRSA-N	-2	3	365.385	3.721	1	30		FHEFHL
O=S(=O)([N-]c1ccc2c(c1)/C(=N/[O-])c1ccccc1-2)c1cccc(F)c1	ZINC000102939258	222315421	/nfs/dbraw/zinc/31/54/21/222315421.db2.gz	OFNVBEJIAOUXJO-XUTLUUPISA-N	-2	3	368.389	3.834	1	30		FHEFHL