smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[C@@H](NCc1ccc(Br)s1)c1cccc([N+](=O)[O-])c1	ZINC000038018412	211353874	/nfs/dbraw/zinc/35/38/74/211353874.db2.gz	NACJLXPZGJATPG-CQSZACIVSA-N	0	3	369.284	5.050	20	5		FKBDHN
CC[C@H](NCc1cccc(COC(C)(C)C)c1)c1cccc([N+](=O)[O-])c1	ZINC000482090968	568258656	/nfs/dbraw/zinc/25/86/56/568258656.db2.gz	TZDKADPEOWZUHK-FQEVSTJZSA-N	0	3	356.466	5.151	20	5		FKBDHN
CC[C@@H](NCc1cccc(COC(C)(C)C)c1)c1cccc([N+](=O)[O-])c1	ZINC000482090969	568258669	/nfs/dbraw/zinc/25/86/69/568258669.db2.gz	TZDKADPEOWZUHK-HXUWFJFHSA-N	0	3	356.466	5.151	20	5		FKBDHN
Cc1ccc([C@H](C)NCc2cccc(COC(C)(C)C)c2)cc1[N+](=O)[O-]	ZINC000482092545	568259013	/nfs/dbraw/zinc/25/90/13/568259013.db2.gz	ZFBRJJZVVMNHLS-INIZCTEOSA-N	0	3	356.466	5.069	20	5		FKBDHN
Cc1ccc([C@@H](C)NCc2cccc(COC(C)(C)C)c2)cc1[N+](=O)[O-]	ZINC000482092549	568259027	/nfs/dbraw/zinc/25/90/27/568259027.db2.gz	ZFBRJJZVVMNHLS-MRXNPFEDSA-N	0	3	356.466	5.069	20	5		FKBDHN
CC(C)(CNCc1ccc(-c2ccccc2[N+](=O)[O-])s1)C(F)(F)F	ZINC000548975226	567959978	/nfs/dbraw/zinc/95/99/78/567959978.db2.gz	BDILNMVRROPNCA-UHFFFAOYSA-N	0	3	358.385	5.001	20	5		FKBDHN
C[C@H](N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)c1cccc([N+](=O)[O-])c1	ZINC000549077454	567980465	/nfs/dbraw/zinc/98/04/65/567980465.db2.gz	KFXQARSBCVPJCO-KPZWWZAWSA-N	0	3	364.367	5.416	20	5		FKBDHN
C[C@@H](N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)c1cccc([N+](=O)[O-])c1	ZINC000549077455	567980481	/nfs/dbraw/zinc/98/04/81/567980481.db2.gz	KFXQARSBCVPJCO-KZULUSFZSA-N	0	3	364.367	5.416	20	5		FKBDHN
CCOc1ccc([C@@H](C)NCc2cc3ccccc3s2)cc1[N+](=O)[O-]	ZINC000551238957	568180033	/nfs/dbraw/zinc/18/00/33/568180033.db2.gz	IPPKRIRKGSZWCK-CYBMUJFWSA-N	0	3	356.447	5.059	20	5		FKBDHN
CCOc1ccc([C@H](C)NCc2cc3ccccc3s2)cc1[N+](=O)[O-]	ZINC000551238958	568179998	/nfs/dbraw/zinc/17/99/98/568179998.db2.gz	IPPKRIRKGSZWCK-ZDUSSCGKSA-N	0	3	356.447	5.059	20	5		FKBDHN
Cc1c([C@H](C)NCc2ccc(OC3CCCC3)cc2)cccc1[N+](=O)[O-]	ZINC000551816584	568251495	/nfs/dbraw/zinc/25/14/95/568251495.db2.gz	AUTOPMJLAMYSRS-INIZCTEOSA-N	0	3	354.450	5.075	20	5		FKBDHN
Cc1c([C@@H](C)NCc2ccc(OC3CCCC3)cc2)cccc1[N+](=O)[O-]	ZINC000551816587	568251511	/nfs/dbraw/zinc/25/15/11/568251511.db2.gz	AUTOPMJLAMYSRS-MRXNPFEDSA-N	0	3	354.450	5.075	20	5		FKBDHN
Cc1c(CN[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)cccc1[N+](=O)[O-]	ZINC000555073172	568416665	/nfs/dbraw/zinc/41/66/65/568416665.db2.gz	LALRUGJHYBCECS-GOSISDBHSA-N	0	3	364.367	5.163	20	5		FKBDHN
O=[N+]([O-])c1ccccc1-c1ccc(CNCc2cc3ccccc3[nH]2)s1	ZINC000555190875	568411608	/nfs/dbraw/zinc/41/16/08/568411608.db2.gz	VFNJRGPREKTEFL-UHFFFAOYSA-N	0	3	363.442	5.094	20	5		FKBDHN
CCOc1ccc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])s2)cc1	ZINC000555190901	568411639	/nfs/dbraw/zinc/41/16/39/568411639.db2.gz	WOTQFKIPWYLGMW-UHFFFAOYSA-N	0	3	368.458	5.012	20	5		FKBDHN
Cc1ccccc1[C@H](NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1	ZINC000555421851	568414030	/nfs/dbraw/zinc/41/40/30/568414030.db2.gz	RBQSZAATDOLEMF-GOSISDBHSA-N	0	3	364.367	5.163	20	5		FKBDHN
Cc1ccccc1[C@@H](NCc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1	ZINC000555421852	568414078	/nfs/dbraw/zinc/41/40/78/568414078.db2.gz	RBQSZAATDOLEMF-SFHVURJKSA-N	0	3	364.367	5.163	20	5		FKBDHN
CC(C)(CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C(F)(F)F	ZINC000558680955	568475540	/nfs/dbraw/zinc/47/55/40/568475540.db2.gz	NLNPZIOTWZKACU-UHFFFAOYSA-N	0	3	358.385	5.001	20	5		FKBDHN
Cc1ccc(CN[C@@H](c2cccc(C(F)(F)F)c2)C2CC2)cc1[N+](=O)[O-]	ZINC000558789003	568477371	/nfs/dbraw/zinc/47/73/71/568477371.db2.gz	GMAVKDHCDMFSNN-GOSISDBHSA-N	0	3	364.367	5.163	20	5		FKBDHN
C[C@@H](NCC1(C(F)(F)F)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])s1	ZINC000560584614	568559833	/nfs/dbraw/zinc/55/98/33/568559833.db2.gz	LAKLDVSRWJSAOI-LLVKDONJSA-N	0	3	370.396	5.316	20	5		FKBDHN