smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(O)c([N+](=O)[O-])cc1C(=O)[O-]	39084407	343197508	/nfs/dbraw/zinc/19/75/08/343197508.db2.gz	LIDKLIGKTGJHFK-UHFFFAOYSA-N	-1	1	197.146	1.307	50	5		ADBAMM
Cc1ncc([N+](=O)[O-])cc1[O-]	95627155	343684369	/nfs/dbraw/zinc/68/43/69/343684369.db2.gz	DKODSKBRWBZZOS-UHFFFAOYSA-N	-1	1	154.125	1.004	50	5		ADBAMM
CC(=O)c1ccc([N+](=O)[O-])cc1[O-]	2559134	166324014	/nfs/dbraw/zinc/32/40/14/166324014.db2.gz	MBWXEEAWDJCUKX-UHFFFAOYSA-N	-1	1	181.147	1.503	50	5		ADBAMM
CC(=O)c1ccc([O-])c([N+](=O)[O-])c1O	91302236	166324151	/nfs/dbraw/zinc/32/41/51/166324151.db2.gz	UIRUEYNZXBZBDK-UHFFFAOYSA-N	-1	1	197.146	1.209	50	5	in-vitro	ADBAMM
COC(=O)c1cc([O-])cc([N+](=O)[O-])c1	1676684	168129309	/nfs/dbraw/zinc/12/93/09/168129309.db2.gz	HTYJYEKZUXJKKW-UHFFFAOYSA-N	-1	1	197.146	1.087	50	5	in-vitro	ADBAMM
COc1c([N+](=O)[O-])ccc(C=O)c1[O-]	34414179	168227828	/nfs/dbraw/zinc/22/78/28/168227828.db2.gz	PAQVXXZKNYZUOH-UHFFFAOYSA-N	-1	1	197.146	1.122	50	5	in-vitro	ADBAMM
COc1cc([O-])cc([N+](=O)[O-])c1	1620710	168237359	/nfs/dbraw/zinc/23/73/59/168237359.db2.gz	YETHUNXROLCEGJ-UHFFFAOYSA-N	-1	1	169.136	1.309	50	5	in-vitro	ADBAMM
COc1cc([N+](=O)[O-])ccc1[O-]	36072255	168239957	/nfs/dbraw/zinc/23/99/57/168239957.db2.gz	IZLVFLOBTPURLP-UHFFFAOYSA-N	-1	1	169.136	1.309	50	5	in-vitro	ADBAMM
Cc1cc([N+](=O)[O-])ccc1[O-]	25723409	168784555	/nfs/dbraw/zinc/78/45/55/168784555.db2.gz	KDQPMQNHVQVVMR-UHFFFAOYSA-N	-1	1	153.137	1.609	50	5	in-vitro	ADBAMM
O=[N+]([O-])c1cc([O-])ccc1Cl	1746714	171001953	/nfs/dbraw/zinc/00/19/53/171001953.db2.gz	JUIKCULGDIZNDI-UHFFFAOYSA-N	-1	1	173.555	1.954	50	5	in-vitro	ADBAMM
O=[N+]([O-])c1cc([O-])ccc1F	2525422	171005985	/nfs/dbraw/zinc/00/59/85/171005985.db2.gz	JSRMPTJZAJUPGZ-UHFFFAOYSA-N	-1	1	157.100	1.440	50	5	in-vitro	ADBAMM
O=[N+]([O-])c1cc([O-])cc2n[nH]cc12	14983080	171028924	/nfs/dbraw/zinc/02/89/24/171028924.db2.gz	BJMMZNBQVYKORW-UHFFFAOYSA-N	-1	1	179.135	1.177	50	5		ADBAMM
O=[N+]([O-])c1nc(Br)c[n-]1	26894018	171046144	/nfs/dbraw/zinc/04/61/44/171046144.db2.gz	MRIWERSFZMOJRE-UHFFFAOYSA-N	-1	1	191.972	1.080	50	5	in-vitro	ADBAMM
O=c1cc[n-]c(Cl)c1[N+](=O)[O-]	40448317	171081127	/nfs/dbraw/zinc/08/11/27/171081127.db2.gz	RGJVVCCIZKLJRL-UHFFFAOYSA-N	-1	1	174.543	1.349	50	5	in-vitro	ADBAMM
O=c1cc2[n-][nH]cc-2cc1[N+](=O)[O-]	16677963	171206904	/nfs/dbraw/zinc/20/69/04/171206904.db2.gz	OIJDAJASYWQSPS-UHFFFAOYSA-N	-1	1	179.135	1.177	50	5	in-vitro	ADBAMM
O=[N+]([O-])c1cc([O-])c2ncccc2c1	78149	342925958	/nfs/dbraw/zinc/92/59/58/342925958.db2.gz	BVBQGQLGXJDKLZ-UHFFFAOYSA-N	-1	1	190.158	1.849	50	5	in-vitro	ADBAMM
Cc1ccc(C(=O)[O-])c([N+](=O)[O-])c1O	4722153	342994597	/nfs/dbraw/zinc/99/45/97/342994597.db2.gz	HEKGHQKEERXLOI-UHFFFAOYSA-N	-1	1	197.146	1.307	50	5	in-vitro	ADBAMM
Cc1cc([N+](=O)[O-])cc(C)c1[O-]	19850820	343061700	/nfs/dbraw/zinc/06/17/00/343061700.db2.gz	FNORUNUDZNWQFF-UHFFFAOYSA-N	-1	1	167.164	1.917	50	5	in-vitro	ADBAMM
Cc1cc(C)c([O-])c([N+](=O)[O-])c1	19943287	343064614	/nfs/dbraw/zinc/06/46/14/343064614.db2.gz	KJRCHILWKQLEBC-UHFFFAOYSA-N	-1	1	167.164	1.917	50	5		ADBAMM
Cc1cc([N+](=O)[O-])c(C)cc1[O-]	20280883	343070724	/nfs/dbraw/zinc/07/07/24/343070724.db2.gz	DSWZKAODNLLINU-UHFFFAOYSA-N	-1	1	167.164	1.917	50	5	in-vitro	ADBAMM
Cc1cc(N)c([O-])c([N+](=O)[O-])c1	35566950	343133226	/nfs/dbraw/zinc/13/32/26/343133226.db2.gz	AJWIWEGQLDDWQC-UHFFFAOYSA-N	-1	1	168.152	1.191	50	5		ADBAMM
Cc1cc(CO)c([O-])c([N+](=O)[O-])c1	39426021	343212640	/nfs/dbraw/zinc/21/26/40/343212640.db2.gz	SFEKVEMUJBHBLK-UHFFFAOYSA-N	-1	1	183.163	1.101	50	5		ADBAMM
Cc1c([O-])ccc([N+](=O)[O-])c1C	39603499	343213328	/nfs/dbraw/zinc/21/33/28/343213328.db2.gz	DAEZHJNJHQAEPE-UHFFFAOYSA-N	-1	1	167.164	1.917	50	5	in-vitro	ADBAMM
Cc1cc(Cl)c([N+](=O)[O-])c(=O)[n-]1	71625135	343556856	/nfs/dbraw/zinc/55/68/56/343556856.db2.gz	LXOGQFQXRSVZRP-UHFFFAOYSA-N	-1	1	188.570	1.245	50	5		ADBAMM
Cc1cc(F)c([O-])cc1[N+](=O)[O-]	95217840	343682471	/nfs/dbraw/zinc/68/24/71/343682471.db2.gz	VYCDLDNAWPSNMM-UHFFFAOYSA-N	-1	1	171.127	1.748	50	5		ADBAMM
O=[N+]([O-])c1cccc([O-])c1	1576887	351288315	/nfs/dbraw/zinc/28/83/15/351288315.db2.gz	RTZZCYNQPHTPPL-UHFFFAOYSA-N	-1	1	139.110	1.300	50	5	in-vitro	ADBAMM
O=c1cc(Cl)[n-]cc1[N+](=O)[O-]	40448321	351506295	/nfs/dbraw/zinc/50/62/95/351506295.db2.gz	ISUVKOGCKDBJMD-UHFFFAOYSA-N	-1	1	174.543	1.349	50	5	in-vitro	ADBAMM