smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)n1[n-]c(-c2ccc([N+](=O)[O-])cc2)c(N=Nc2cccnc2)c1=O	ZINC000169307462	206249243	/nfs/dbraw/zinc/24/92/43/206249243.db2.gz	GHLIIHODKATIDS-VHEBQXMUSA-N	-1	0	353.298	2.901	1	10		FFCFRM
O=C([O-])c1cc(F)ccc1-c1ccc(C=C2C(=O)NC(=S)NC2=O)o1	ZINC000040430218	208254957	/nfs/dbraw/zinc/25/49/57/208254957.db2.gz	HNQZGAAWWUHPGA-UHFFFAOYSA-N	-1	0	360.322	2.539	1	10		FFCFRM
COc1c(C=O)c([O-])c(Br)c2c1C(=O)c1ccccc1C2=O	ZINC000098083746	209205000	/nfs/dbraw/zinc/20/50/00/209205000.db2.gz	GLIJYCJSPNBZJU-UHFFFAOYSA-N	-1	0	361.147	2.751	1	10		FFCFRM
C/C=C/c1cc2c(c(=O)o1)-c1c([O-])c(O)c(OC)c(C=O)c1[C@@H](OC)O2	ZINC000014683349	220129904	/nfs/dbraw/zinc/12/99/04/220129904.db2.gz	LNBDQNHIHNAAHW-WRFKIARRSA-N	-1	0	360.318	2.610	1	10		FFCFRM
O=C1[N-]N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc(O)cc(O)c1	ZINC000040895346	208275222	/nfs/dbraw/zinc/27/52/22/208275222.db2.gz	ZSXQKWCTEKWDMA-LFYBBSHMSA-N	-1	0	365.172	2.866	1	10		FFCFRM
Nc1ccc(NC(=O)c2c([O-])c3cccnc3n(-c3ccccc3)c2=O)cc1	ZINC000100761944	209217966	/nfs/dbraw/zinc/21/79/66/209217966.db2.gz	FOFDBCKFRFCZHZ-UHFFFAOYSA-N	-1	0	372.384	2.926	1	10		FFCFRM
Cc1ccc(Cc2c(C)nc3c(C(=O)N4CCCC4)c[n-]n3c2=O)cc1	ZINC000009597695	207278559	/nfs/dbraw/zinc/27/85/59/207278559.db2.gz	MTWNQNILANUUFT-UHFFFAOYSA-N	-1	0	350.422	2.879	1	10		FFCFRM
COc1cc([O-])c(OC)c2oc(-c3ccc(O)c(O)c3)c(OC)c(=O)c12	ZINC000014821300	220133914	/nfs/dbraw/zinc/13/39/14/220133914.db2.gz	NNDAXHWXBOXQEA-UHFFFAOYSA-N	-1	0	360.318	2.603	1	10		FFCFRM
C/C=C/c1cc2c(c(=O)o1)-c1c([O-])c(O)c(OC)c(C=O)c1[C@H](OC)O2	ZINC000014683347	211098437	/nfs/dbraw/zinc/09/84/37/211098437.db2.gz	LNBDQNHIHNAAHW-SHCNBLLESA-N	-1	0	360.318	2.610	1	10		FFCFRM
COc1cc(-c2oc3cc([O-])cc(OC)c3c(=O)c2OC)cc(O)c1O	ZINC000014436782	291061658	/nfs/dbraw/zinc/06/16/58/291061658.db2.gz	ODRBLEJSVVCENJ-UHFFFAOYSA-N	-1	0	360.318	2.603	1	10	biogenic,in-vitro	FFCFRM
COc1cc2c(=O)c(-c3cc(O)c(OC)c(OC)c3)coc2c(O)c1[O-]	ZINC000014437459	291061918	/nfs/dbraw/zinc/06/19/18/291061918.db2.gz	ZWGRHIFFPYIQFQ-UHFFFAOYSA-N	-1	0	360.318	2.603	1	10	biogenic,in-vitro	FFCFRM
Cc1c(O)c([O-])c2oc(-c3c(C)c(O)c(O)c(O)c3C=O)cc2c1C=O	ZINC000103236203	222327564	/nfs/dbraw/zinc/32/75/64/222327564.db2.gz	HTCVSLIHSFBUEL-UHFFFAOYSA-N	-1	0	358.302	2.870	1	10		FFCFRM
O=C([O-])CCn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1ccccc1-2	ZINC000095583165	221964694	/nfs/dbraw/zinc/96/46/94/221964694.db2.gz	FJKPHXWYGPVQJB-UHFFFAOYSA-N	-1	0	364.313	2.596	1	10		FFCFRM
O=C1[N-]C(=O)C(=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1	ZINC000000973031	219348734	/nfs/dbraw/zinc/34/87/34/219348734.db2.gz	ZZTDSCSXJXTROK-UHFFFAOYSA-N	-1	0	353.290	2.977	3	10		FFCFRM
COc1cc(=O)c2c([O-])c(OC)c(-c3ccc(OC)c(O)c3O)oc-2c1	ZINC000014436459	560221371	/nfs/dbraw/zinc/22/13/71/560221371.db2.gz	QXXWSXJTUHATSJ-UHFFFAOYSA-N	-1	0	360.318	2.603	1	10	biogenic,in-vitro	FFCFRM
Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1ccc(C)c(Br)c1	ZINC000102596957	206229684	/nfs/dbraw/zinc/22/96/84/206229684.db2.gz	KPCFIFMDHBMEAA-JRELAMLQSA-N	-1	0	354.233	2.672	1	10		FFCFRM
O=C([O-])[C@@H](Cc1cc2ccccc2[nH]1)N1C(=O)[C@@H]2CC=C(Cl)C[C@@H]2C1=O	ZINC000020058156	206328609	/nfs/dbraw/zinc/32/86/09/206328609.db2.gz	RPCJBPJVTPVNQM-IJEWVQPXSA-N	-1	0	372.808	2.681	1	10		FFCFRM
O=C([O-])[C@@H](Cc1cc2ccccc2[nH]1)N1C(=O)[C@H]2CC=C(Cl)C[C@@H]2C1=O	ZINC000004180898	206171476	/nfs/dbraw/zinc/17/14/76/206171476.db2.gz	RPCJBPJVTPVNQM-OFQRWUPVSA-N	-1	0	372.808	2.681	1	10		FFCFRM
CCCC(=O)Oc1c(=O)c2c(O)cc([O-])cc2oc1-c1ccc(O)c(O)c1	ZINC000013836075	211061774	/nfs/dbraw/zinc/06/17/74/211061774.db2.gz	CYVCXILUUNVMAQ-UHFFFAOYSA-N	-1	0	372.329	2.988	1	10		FFCFRM
COc1cc2cc(C(=O)[O-])nc(C(=O)c3ccc(O)c(O)c3)c2cc1OC	ZINC000013470141	211034434	/nfs/dbraw/zinc/03/44/34/211034434.db2.gz	ZCIUUDAMSGIUJC-UHFFFAOYSA-N	-1	0	369.329	2.592	1	10		FFCFRM
CCOC(=O)C1=Cc2cc(O)c(O)cc2[C@@H](c2ccc(O)cc2)[C@@H]1C(=O)[O-]	ZINC000095597779	221967250	/nfs/dbraw/zinc/96/72/50/221967250.db2.gz	BIQZLVKDSPVZSN-QZTJIDSGSA-N	-1	0	370.357	2.596	1	10		FFCFRM
CN1CCc2cc(Cn3cc(C(=O)[O-])c(=O)c4c(F)cccc43)ccc21	ZINC000071332904	221343747	/nfs/dbraw/zinc/34/37/47/221343747.db2.gz	AOOZNNPZTYSEMI-UHFFFAOYSA-N	-1	0	352.365	2.879	1	10		FFCFRM
CSc1ccccc1N=Nc1c(=O)[nH][n-]c1C1CCN(C(C)=O)CC1	ZINC000102448107	222296218	/nfs/dbraw/zinc/29/62/18/222296218.db2.gz	BUCGYWVFAPDJSR-OSCRUYLVSA-N	-1	0	359.455	2.605	1	10		FFCFRM
O=C([O-])c1ccc2ccc(NC(=O)Nc3ccc(O)c(O)c3)nc2c1O	ZINC000026491310	220515107	/nfs/dbraw/zinc/51/51/07/220515107.db2.gz	SVORWODTHVXZJB-UHFFFAOYSA-N	-1	0	355.306	2.694	1	10		FFCFRM