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(/C=C/c1ccc(Cl)cc1)c1ccc(O)c(Cl)c1	ZINC000004722937	170005730	/nfs/dbraw/zinc/00/57/30/170005730.db2.gz	DUEJSNOEKHXZKL-XVNBXDOJSA-N	0	2	293.149	4.595	40	30		CJEBLN
CC[C@@H](C)c1ccccc1/N=C/c1cc([N+](=O)[O-])ccc1O	ZINC000005907527	567948052	/nfs/dbraw/zinc/94/80/52/567948052.db2.gz	CXFPLZAGEXNROP-MBNTZHJCSA-N	0	2	298.342	4.565	40	30		CJEBLN
CC[C@@H](C)c1ccccc1/N=C/c1cccc([N+](=O)[O-])c1O	ZINC000005907528	567948034	/nfs/dbraw/zinc/94/80/34/567948034.db2.gz	XOYHFZUUVQVSMH-MBNTZHJCSA-N	0	2	298.342	4.565	40	30		CJEBLN
CC[C@H](C)c1ccccc1/N=C/c1cc([N+](=O)[O-])ccc1O	ZINC000005908044	570381091	/nfs/dbraw/zinc/38/10/91/570381091.db2.gz	CXFPLZAGEXNROP-HWQJWEFDSA-N	0	2	298.342	4.565	40	30		CJEBLN
CC[C@H](C)c1ccccc1/N=C/c1cccc([N+](=O)[O-])c1O	ZINC000005908045	570381274	/nfs/dbraw/zinc/38/12/74/570381274.db2.gz	XOYHFZUUVQVSMH-HWQJWEFDSA-N	0	2	298.342	4.565	40	30		CJEBLN
Fc1ccc(CSC(=S)Nc2ccc(F)cc2)cc1	ZINC000006512358	170208244	/nfs/dbraw/zinc/20/82/44/170208244.db2.gz	IDENYHKRFISLHI-UHFFFAOYSA-N	0	2	295.379	4.816	40	30		CJEBLN
Fc1ccc(NC(=S)SCc2ccccc2)cc1F	ZINC000006575156	230369797	/nfs/dbraw/zinc/36/97/97/230369797.db2.gz	DOPIVRQOWCNLSJ-UHFFFAOYSA-N	0	2	295.379	4.816	40	30		CJEBLN
O=C(/C=C\c1ccc(Cl)cc1)c1cc(Cl)ccc1O	ZINC000017314035	567875570	/nfs/dbraw/zinc/87/55/70/567875570.db2.gz	TTWITESQDJUURJ-CLTKARDFSA-N	0	2	293.149	4.595	40	30		CJEBLN
O=C(/C=C\c1ccc(Cl)cc1)c1ccc(O)c(Cl)c1	ZINC000017314037	567875677	/nfs/dbraw/zinc/87/56/77/567875677.db2.gz	DUEJSNOEKHXZKL-CLTKARDFSA-N	0	2	293.149	4.595	40	30		CJEBLN
Sc1ccccc1/N=C/c1cccn1-c1ccccc1	ZINC000059249034	262387525	/nfs/dbraw/zinc/38/75/25/262387525.db2.gz	CPWWCUAWQLSEDC-QGOAFFKASA-N	0	2	278.380	4.517	40	30		CJEBLN
CC(=CC(=O)c1ccc(C)cc1)Nc1cc(S)ccc1C	ZINC000100246038	567912535	/nfs/dbraw/zinc/91/25/35/567912535.db2.gz	OCFCUQAEIDIGCQ-GXDHUFHOSA-N	0	2	297.423	4.791	40	30		CJEBLN
CCCCCCCCc1ccc(C(=N\O)/C(C)=N/O)cc1	ZINC000100932736	567914056	/nfs/dbraw/zinc/91/40/56/567914056.db2.gz	NRGVGJHEGRMMJH-UJYJBITFSA-N	0	2	290.407	4.618	40	30		CJEBLN
CCCCCCCCC(=N/O)/C(=N\O)c1ccc(C)cc1	ZINC000100934047	567914196	/nfs/dbraw/zinc/91/41/96/567914196.db2.gz	SGARMSAMQNNUMH-YGGBKCGDSA-N	0	2	290.407	4.754	40	30		CJEBLN
Cc1c(/C=N\c2ccccc2S)c2ccccc2n1C	ZINC000408814465	567933211	/nfs/dbraw/zinc/93/32/11/567933211.db2.gz	HBVFQQKWJKTWLL-WQRHYEAKSA-N	0	2	280.396	4.526	40	30		CJEBLN
Cc1cc(/C=N\c2ccccc2S)ccc1N1CCCC1	ZINC000408853065	567933261	/nfs/dbraw/zinc/93/32/61/567933261.db2.gz	PMIYNTFLNAINDV-UYRXBGFRSA-N	0	2	296.439	4.635	40	30		CJEBLN
CC[C@H](C)c1ccc(/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1	ZINC000408965267	567933555	/nfs/dbraw/zinc/93/35/55/567933555.db2.gz	VDJPKKZRWAMHTP-HWQJWEFDSA-N	0	2	298.342	4.565	40	30		CJEBLN
CC[C@@H](C)c1ccc(/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1	ZINC000408965268	529429887	/nfs/dbraw/zinc/42/98/87/529429887.db2.gz	VDJPKKZRWAMHTP-MBNTZHJCSA-N	0	2	298.342	4.565	40	30		CJEBLN
CC[C@H](C)c1ccc(/N=C/c2cccc([N+](=O)[O-])c2O)cc1	ZINC000409090780	567934160	/nfs/dbraw/zinc/93/41/60/567934160.db2.gz	QDWPFNKGEDCALV-HWQJWEFDSA-N	0	2	298.342	4.565	40	30		CJEBLN
CC[C@@H](C)c1ccc(/N=C/c2cccc([N+](=O)[O-])c2O)cc1	ZINC000409090782	567934194	/nfs/dbraw/zinc/93/41/94/567934194.db2.gz	QDWPFNKGEDCALV-MBNTZHJCSA-N	0	2	298.342	4.565	40	30		CJEBLN
CC[C@H](C)c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)cc1	ZINC000409108753	567934363	/nfs/dbraw/zinc/93/43/63/567934363.db2.gz	VRTJMJDCCZXOIN-HWQJWEFDSA-N	0	2	298.342	4.565	40	30		CJEBLN
CC[C@@H](C)c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)cc1	ZINC000409108754	567934357	/nfs/dbraw/zinc/93/43/57/567934357.db2.gz	VRTJMJDCCZXOIN-MBNTZHJCSA-N	0	2	298.342	4.565	40	30		CJEBLN