smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc([O-])cc(F)c1	ZINC000161297392	426017195	/nfs/dbraw/zinc/01/71/95/426017195.db2.gz	LAUQDHKWDORVEA-UHFFFAOYSA-N	-2	3	306.318	2.512	20	70		DFIDHL
Cc1ccc(-c2nc([N-]C(=O)c3ccc([N+](=O)[O-])s3)n[n-]2)o1	ZINC000160258136	425977755	/nfs/dbraw/zinc/97/77/55/425977755.db2.gz	TTWIMCFHTMISLQ-UHFFFAOYSA-N	-2	3	319.302	2.595	20	70		DFIDHL
CC[C@H](C)c1cc(C(=O)[N-]c2n[n-]c(-c3ccccn3)n2)on1	ZINC000161484731	426026267	/nfs/dbraw/zinc/02/62/67/426026267.db2.gz	FGXJMNDFSOHPHA-VIFPVBQESA-N	-2	3	312.333	2.621	20	70		DFIDHL
CC[C@@H](C)c1cc(C(=O)[N-]c2n[n-]c(-c3ccccn3)n2)on1	ZINC000161484609	426026670	/nfs/dbraw/zinc/02/66/70/426026670.db2.gz	FGXJMNDFSOHPHA-SECBINFHSA-N	-2	3	312.333	2.621	20	70		DFIDHL
CCOc1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)cc1	ZINC000161285219	426017636	/nfs/dbraw/zinc/01/76/36/426017636.db2.gz	ITYUUKPDOXDANI-UHFFFAOYSA-N	-2	3	311.334	2.731	20	70		DFIDHL
Cc1ccc(-c2nc([N-]C(=O)c3cc(C(C)(C)C)on3)n[n-]2)o1	ZINC000160421391	425981576	/nfs/dbraw/zinc/98/15/76/425981576.db2.gz	MWJPLISYMKTGSZ-UHFFFAOYSA-N	-2	3	315.333	2.911	20	70		DFIDHL
CCc1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)s1	ZINC000161302213	426018392	/nfs/dbraw/zinc/01/83/92/426018392.db2.gz	UZKFZWAVNUQVMH-UHFFFAOYSA-N	-2	3	301.364	2.956	20	70		DFIDHL
O=S(=O)([N-]c1cc([O-])cc(F)c1)c1ccc2c(c1)CCC2	ZINC000161292153	426017708	/nfs/dbraw/zinc/01/77/08/426017708.db2.gz	WYGNFLDAMKTINE-UHFFFAOYSA-N	-2	3	307.346	2.821	20	70		DFIDHL
C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)C1	ZINC000218064827	337324714	/nfs/dbraw/zinc/32/47/14/337324714.db2.gz	YSLJBDSUQSMKLJ-ZJUUUORDSA-N	-2	3	317.432	2.551	20	70		DFIDHL
CC(=O)c1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)cc1	ZINC000161285334	426017026	/nfs/dbraw/zinc/01/70/26/426017026.db2.gz	JUZYGRMNYSPOGW-UHFFFAOYSA-N	-2	3	309.318	2.535	20	70		DFIDHL
CCC(CC)c1cc(C(=O)[N-]c2n[n-]c(C(F)(F)F)n2)on1	ZINC000161459161	426025352	/nfs/dbraw/zinc/02/53/52/426025352.db2.gz	QHIRCWJGWSKPEA-UHFFFAOYSA-N	-2	3	317.271	2.967	20	70		DFIDHL
CC[C@H](C)c1cc(C(=O)[N-]c2n[n-]c(C(F)(F)F)n2)on1	ZINC000161464664	426025591	/nfs/dbraw/zinc/02/55/91/426025591.db2.gz	BOOIIQHAIZCKQB-YFKPBYRVSA-N	-2	3	303.244	2.577	20	70		DFIDHL
Cc1ccc(-c2nnc(NC(=O)c3c([O-])cc(F)cc3F)[n-]2)o1	ZINC000160197259	542722244	/nfs/dbraw/zinc/72/22/44/542722244.db2.gz	FZKHPRXOCVBXAX-UHFFFAOYSA-N	-2	3	320.255	2.609	20	70		DFIDHL
Cc1ccc(-c2n[n-]c(NC(=O)c3c([O-])cc(F)cc3F)n2)o1	ZINC000160197259	542722245	/nfs/dbraw/zinc/72/22/45/542722245.db2.gz	FZKHPRXOCVBXAX-UHFFFAOYSA-N	-2	3	320.255	2.609	20	70		DFIDHL
Cc1ccc(-c2nc(NC(=O)c3c([O-])cc(F)cc3F)n[n-]2)o1	ZINC000160197259	542722248	/nfs/dbraw/zinc/72/22/48/542722248.db2.gz	FZKHPRXOCVBXAX-UHFFFAOYSA-N	-2	3	320.255	2.609	20	70		DFIDHL
CC[C@@H](C)c1cc(C(=O)[N-]c2n[n-]c(C(F)(F)F)n2)on1	ZINC000161464544	426025845	/nfs/dbraw/zinc/02/58/45/426025845.db2.gz	BOOIIQHAIZCKQB-RXMQYKEDSA-N	-2	3	303.244	2.577	20	70		DFIDHL
CC(=O)c1cccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c1	ZINC000161294873	426017650	/nfs/dbraw/zinc/01/76/50/426017650.db2.gz	IRRRZEVQHDNGDP-UHFFFAOYSA-N	-2	3	309.318	2.535	20	70		DFIDHL
C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)C1	ZINC000218064660	337324647	/nfs/dbraw/zinc/32/46/47/337324647.db2.gz	YSLJBDSUQSMKLJ-NXEZZACHSA-N	-2	3	317.432	2.551	20	70		DFIDHL
C[C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)C1	ZINC000218064736	337324694	/nfs/dbraw/zinc/32/46/94/337324694.db2.gz	YSLJBDSUQSMKLJ-VHSXEESVSA-N	-2	3	317.432	2.551	20	70		DFIDHL
C[C@H]1CCC[C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)C1	ZINC000218064911	337324643	/nfs/dbraw/zinc/32/46/43/337324643.db2.gz	YSLJBDSUQSMKLJ-UWVGGRQHSA-N	-2	3	317.432	2.551	20	70		DFIDHL