smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+]1CCN(c2c(C)cc([N+](=O)[O-])cc2Cl)CC1	ZINC000045886021	373036669	/nfs/dbraw/zinc/03/66/69/373036669.db2.gz	DJJLQKVNHVCARI-UHFFFAOYSA-N	1	1	283.759	2.699	40	5		CFBBMO
C[C@@H]1C[N@@H+](Cc2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@H](C)O1	ZINC000059459179	393625066	/nfs/dbraw/zinc/62/50/66/393625066.db2.gz	FJJWMPMLKHEEKR-PHIMTYICSA-N	1	1	289.335	2.685	40	5		CFBBMO
C[C@@H]1C[N@H+](Cc2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@H](C)O1	ZINC000059459179	393625067	/nfs/dbraw/zinc/62/50/67/393625067.db2.gz	FJJWMPMLKHEEKR-PHIMTYICSA-N	1	1	289.335	2.685	40	5		CFBBMO
C[C@@H]1C[NH+](Cc2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@@H](C)O1	ZINC000059459181	393625696	/nfs/dbraw/zinc/62/56/96/393625696.db2.gz	FJJWMPMLKHEEKR-GHMZBOCLSA-N	1	1	289.335	2.685	40	5		CFBBMO
C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1[C@H]2CCO[C@@H]2C1(C)C	ZINC000096419602	393826842	/nfs/dbraw/zinc/82/68/42/393826842.db2.gz	OBBOTOKGIOHAGX-ILXRZTDVSA-N	1	1	290.363	2.840	40	5		CFBBMO
C[N@H+]1CCC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1	ZINC000216910882	262341802	/nfs/dbraw/zinc/34/18/02/262341802.db2.gz	ZFXGZVSMQOGPJH-VIFPVBQESA-N	1	1	297.742	2.529	40	5		CFBBMO
C[C@H]1C[NH+](Cc2c[nH]c3cc([N+](=O)[O-])ccc23)C[C@H](C)O1	ZINC000059459180	393625092	/nfs/dbraw/zinc/62/50/92/393625092.db2.gz	FJJWMPMLKHEEKR-QWRGUYRKSA-N	1	1	289.335	2.685	40	5		CFBBMO
CN1CC[NH+]=C1Sc1nc2ccc([N+](=O)[O-])cc2s1	ZINC000059489585	262389842	/nfs/dbraw/zinc/38/98/42/262389842.db2.gz	MERYQQHVVLVQAZ-UHFFFAOYSA-N	1	1	294.361	2.598	40	5		CFBBMO
C[N@H+]1CCC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1	ZINC000216910855	262341791	/nfs/dbraw/zinc/34/17/91/262341791.db2.gz	ZFXGZVSMQOGPJH-SECBINFHSA-N	1	1	297.742	2.529	40	5		CFBBMO
C[N+](C)(N)Cc1csc(-c2ccc(Cl)cc2)n1	ZINC000000159235	371545213	/nfs/dbraw/zinc/54/52/13/371545213.db2.gz	XJGDWLXXIJSSDK-UHFFFAOYSA-N	1	1	268.793	2.914	40	5	in-vitro	CFBBMO
O=C(CC[N@H+]1CC[C@@H]2CC[C@@H](C2)C1)c1ccc([N+](=O)[O-])o1	ZINC000001615816	371688856	/nfs/dbraw/zinc/68/88/56/371688856.db2.gz	PJHDTMHTTYTZSH-RYUDHWBXSA-N	1	1	292.335	2.883	40	5		CFBBMO
C[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1[C@@H]2CCO[C@@H]2C1(C)C	ZINC000096419604	393827178	/nfs/dbraw/zinc/82/71/78/393827178.db2.gz	OBBOTOKGIOHAGX-KKUMJFAQSA-N	1	1	290.363	2.840	40	5		CFBBMO
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCCCC1	ZINC000004954326	170045328	/nfs/dbraw/zinc/04/53/28/170045328.db2.gz	QISVQEDJFLAPEC-LBPRGKRZSA-N	1	1	291.351	2.716	40	5		CFBBMO
CC[n+]1ccccc1/C=C\c1cc([N+](=O)[O-])ccc1O	ZINC000039944329	174176419	/nfs/dbraw/zinc/17/64/19/174176419.db2.gz	KIZSDPQIEIQZGK-UHFFFAOYSA-O	1	1	271.296	2.778	40	5		CFBBMO
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCCCC1	ZINC000004954325	170045213	/nfs/dbraw/zinc/04/52/13/170045213.db2.gz	QISVQEDJFLAPEC-GFCCVEGCSA-N	1	1	291.351	2.716	40	5		CFBBMO
Cc1ccc(NC(=O)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-]	ZINC000016483633	346238161	/nfs/dbraw/zinc/23/81/61/346238161.db2.gz	KJQPNYWQNSDZMJ-UHFFFAOYSA-N	1	1	291.351	2.574	40	5		CFBBMO
Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(C)CC1	ZINC000004853436	170030550	/nfs/dbraw/zinc/03/05/50/170030550.db2.gz	STJILOHWSYJVPQ-UHFFFAOYSA-N	1	1	291.351	2.574	40	5		CFBBMO