smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCSCc1ccc(Cl)cc1Cl	ZINC000408908615	559231225	/nfs/dbraw/zinc/23/12/25/559231225.db2.gz	WQZLSZYGPPRVBC-UHFFFAOYSA-N	-1	3	421.327	4.113	40	5		HIBBHM
O=C([N-]c1nnc(Cc2c[nH]c3ccccc23)s1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000059475019	568955699	/nfs/dbraw/zinc/95/56/99/568955699.db2.gz	QYMHSGMSTPQMIW-UHFFFAOYSA-N	-1	3	413.846	4.424	40	5		HIBBHM
COc1ccc2oc3c(OC)c4c(c(=O)c-3c([O-])c2c1OC)[C@H]1CCC[C@@](C)(O4)O1	ZINC000031166831	291266833	/nfs/dbraw/zinc/26/68/33/291266833.db2.gz	NSNKDXYBGHRIGH-RKFFSXRUSA-N	-1	3	414.410	4.028	40	5	biogenic,in-vitro	HIBBHM
COc1ccc2oc3c(OC)c4c(c([O-])c3c(=O)c2c1OC)[C@H]1CCC[C@@](C)(O4)O1	ZINC000031166831	291266835	/nfs/dbraw/zinc/26/68/35/291266835.db2.gz	NSNKDXYBGHRIGH-RKFFSXRUSA-N	-1	3	414.410	4.028	40	5	biogenic,in-vitro	HIBBHM
COc1ccc(Cl)cc1-c1nc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n[n-]1	ZINC000408637655	559222644	/nfs/dbraw/zinc/22/26/44/559222644.db2.gz	MLVOUBFZSXIYAK-UHFFFAOYSA-N	-1	3	407.795	4.101	40	5		HIBBHM
CC(C)(C)[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1ccc([N+](=O)[O-])cc1)N2	ZINC000409101878	559240753	/nfs/dbraw/zinc/24/07/53/559240753.db2.gz	BUTJAZDVDDMQHF-IAISJRAMSA-N	-1	3	413.396	4.120	40	5		HIBBHM
O=[N+]([O-])c1ccc(Sc2n[n-]c(COc3ccc(Cl)cc3)n2)c([N+](=O)[O-])c1	ZINC000409384463	560717732	/nfs/dbraw/zinc/71/77/32/560717732.db2.gz	CJTCREMYHSDZBL-UHFFFAOYSA-N	-1	3	407.795	4.005	40	5		HIBBHM
O=C1[N-]C(=Cc2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)N1c1cccc(Cl)c1	ZINC000409106964	560678599	/nfs/dbraw/zinc/67/85/99/560678599.db2.gz	NRHGAWLHTRVHEF-LDADJPATSA-N	-1	3	408.801	4.136	40	5		HIBBHM
O=C1[N-]C(=Cc2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1	ZINC000409245053	560701264	/nfs/dbraw/zinc/70/12/64/560701264.db2.gz	MRXKAKARPOXZTK-LDADJPATSA-N	-1	3	408.801	4.136	40	5		HIBBHM
CC(C)(C)[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1ccc([N+](=O)[O-])cc1)N2	ZINC000409101874	559240646	/nfs/dbraw/zinc/24/06/46/559240646.db2.gz	BUTJAZDVDDMQHF-DFHBCGBQSA-N	-1	3	413.396	4.120	40	5		HIBBHM
CC(C)(C)[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1ccc([N+](=O)[O-])cc1)N2	ZINC000409101881	560677261	/nfs/dbraw/zinc/67/72/61/560677261.db2.gz	BUTJAZDVDDMQHF-RVZJWNSFSA-N	-1	3	413.396	4.120	40	5		HIBBHM
COc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Cl)c1[O-]	ZINC000106728887	560893485	/nfs/dbraw/zinc/89/34/85/560893485.db2.gz	AGQFFLBCAYROKV-NVNXTCNLSA-N	-1	3	420.830	4.199	40	5		HIBBHM
O=C(NC(=S)[N-]c1ccccc1[N+](=O)[O-])c1cccc(OCc2ccccc2)c1	ZINC000017087671	569273850	/nfs/dbraw/zinc/27/38/50/569273850.db2.gz	RJXRXUHWVJPHOK-UHFFFAOYSA-N	-1	3	407.451	4.301	40	5		HIBBHM
COc1ccc([N-]C(=S)NC(=O)C=Cc2ccc(-c3ccccc3)o2)c([N+](=O)[O-])c1	ZINC000057315588	568826390	/nfs/dbraw/zinc/82/63/90/568826390.db2.gz	GZSAEWLEWGCKEH-FMIVXFBMSA-N	-1	3	423.450	4.390	40	5		HIBBHM
CC(C)(C)[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1cccc([N+](=O)[O-])c1)N2	ZINC000409100023	560676909	/nfs/dbraw/zinc/67/69/09/560676909.db2.gz	PHFQGCDIMNSIHL-IAISJRAMSA-N	-1	3	413.396	4.120	40	5		HIBBHM
CC(C)(C)[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1cccc([N+](=O)[O-])c1)N2	ZINC000409100024	560676918	/nfs/dbraw/zinc/67/69/18/560676918.db2.gz	PHFQGCDIMNSIHL-RVZJWNSFSA-N	-1	3	413.396	4.120	40	5		HIBBHM
O=C(NC(=S)Nc1cc(Cl)ccc1[O-])c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000034864480	557019099	/nfs/dbraw/zinc/01/90/99/557019099.db2.gz	PMVOTMKOKTUEMQ-UHFFFAOYSA-N	-1	3	417.830	4.341	40	5		HIBBHM
O=c1oc2ccccc2c([N-]c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1[N+](=O)[O-]	ZINC000014406349	558654282	/nfs/dbraw/zinc/65/42/82/558654282.db2.gz	KLTJGRKUPGPBGR-UHFFFAOYSA-N	-1	3	410.367	4.477	40	5		HIBBHM
COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)[N-]c1ccc(C)cc1[N+](=O)[O-]	ZINC000017089758	569273836	/nfs/dbraw/zinc/27/38/36/569273836.db2.gz	GRQIGVGCXICCKH-UHFFFAOYSA-N	-1	3	414.270	4.345	40	5		HIBBHM
COc1cc([N+](=O)[O-])cc2sc([N-]C(=O)c3c(F)c(F)c(F)c(F)c3F)nc21	ZINC000010010561	569394949	/nfs/dbraw/zinc/39/49/49/569394949.db2.gz	IYFXBFODEGJCBK-UHFFFAOYSA-N	-1	3	419.287	4.161	40	5		HIBBHM
O=C(CSc1nnc(-c2cc3ccccc3cc2[O-])o1)Nc1ccc([N+](=O)[O-])cc1	ZINC000008435601	569002836	/nfs/dbraw/zinc/00/28/36/569002836.db2.gz	CGBLFQTZJRJTPC-UHFFFAOYSA-N	-1	3	422.422	4.234	40	5		HIBBHM
CC(=O)c1cc([N+](=O)[O-])ccc1Sc1n[n-]c(COc2ccc(Cl)cc2)n1	ZINC000408582256	559220011	/nfs/dbraw/zinc/22/00/11/559220011.db2.gz	MOWBRXRAXYPGAD-UHFFFAOYSA-N	-1	3	404.835	4.299	40	5		HIBBHM
COc1c(F)c(F)c(C(=O)[N-]c2nc3ccc([N+](=O)[O-])cc3s2)c(F)c1F	ZINC000017082142	569272945	/nfs/dbraw/zinc/27/29/45/569272945.db2.gz	JWIWBFWFGUGEIY-UHFFFAOYSA-N	-1	3	401.297	4.022	40	5		HIBBHM
CC(C)(C)[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1cccc([N+](=O)[O-])c1)N2	ZINC000409100026	559240671	/nfs/dbraw/zinc/24/06/71/559240671.db2.gz	PHFQGCDIMNSIHL-UVBSCNOISA-N	-1	3	413.396	4.120	40	5		HIBBHM
O=C(NC(=S)Nc1cc(Cl)ccc1[O-])c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000017091240	569274365	/nfs/dbraw/zinc/27/43/65/569274365.db2.gz	ICOQFOHNIHDZFG-UHFFFAOYSA-N	-1	3	417.830	4.341	40	5		HIBBHM
COc1c(Cl)cc(Cl)cc1C(=O)[N-]c1cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c1	ZINC000020528508	568625698	/nfs/dbraw/zinc/62/56/98/568625698.db2.gz	PXBVDPATCHMUAE-UHFFFAOYSA-N	-1	3	416.173	4.079	40	5		HIBBHM
COc1ccc2oc3c(OC)c4c(c(=O)c-3c([O-])c2c1OC)[C@@H]1CCC[C@](C)(O4)O1	ZINC000031166835	291266808	/nfs/dbraw/zinc/26/68/08/291266808.db2.gz	NSNKDXYBGHRIGH-SAHAZLINSA-N	-1	3	414.410	4.028	40	5	biogenic,in-vitro	HIBBHM
COc1ccc2oc3c(OC)c4c(c([O-])c3c(=O)c2c1OC)[C@@H]1CCC[C@](C)(O4)O1	ZINC000031166835	291266811	/nfs/dbraw/zinc/26/68/11/291266811.db2.gz	NSNKDXYBGHRIGH-SAHAZLINSA-N	-1	3	414.410	4.028	40	5	biogenic,in-vitro	HIBBHM
COc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)c(Cl)c1Cl	ZINC000223638636	569030664	/nfs/dbraw/zinc/03/06/64/569030664.db2.gz	NLRMBELNRDWRCR-UHFFFAOYSA-N	-1	3	411.650	4.364	40	5		HIBBHM
COc1cc(-c2nc(=O)c3c4c(sc3[n-]2)CCCCC4)c([N+](=O)[O-])cc1OC	ZINC000408985226	560661514	/nfs/dbraw/zinc/66/15/14/560661514.db2.gz	AHYLBHRMKATSQC-UHFFFAOYSA-N	-1	3	401.444	4.258	40	5		HIBBHM
COc1c(Cl)cc(-c2nc3ncccc3o2)cc1[N-]C(=O)c1ccc([N+](=O)[O-])o1	ZINC000020611380	568636574	/nfs/dbraw/zinc/63/65/74/568636574.db2.gz	KDIOCVRWXSUYJG-UHFFFAOYSA-N	-1	3	414.761	4.305	40	5		HIBBHM
O=C([N-]c1cccc([N+](=O)[O-])c1)c1snnc1-c1ccc(Br)cc1	ZINC000225784860	558948092	/nfs/dbraw/zinc/94/80/92/558948092.db2.gz	HIKDNXAJEZCHMK-UHFFFAOYSA-N	-1	3	405.233	4.128	40	5		HIBBHM
CC(C)(C)[C@@H]1CCC2=C(C1)[C@]([O-])(C(F)(F)F)N(C(=O)c1cccc([N+](=O)[O-])c1)N2	ZINC000409100021	559240701	/nfs/dbraw/zinc/24/07/01/559240701.db2.gz	PHFQGCDIMNSIHL-DFHBCGBQSA-N	-1	3	413.396	4.120	40	5		HIBBHM
Cc1c2ccccc2oc1C(=O)NC(=S)[N-]c1c2cccnc2ccc1[N+](=O)[O-]	ZINC000006389881	569045945	/nfs/dbraw/zinc/04/59/45/569045945.db2.gz	SDVMFXHISGVPHQ-UHFFFAOYSA-N	-1	3	406.423	4.324	40	5		HIBBHM
CCOC(=O)c1ccc([N-]c2nc(C)c([N+](=O)[O-])c(Nc3ccc(OC)cc3)n2)cc1	ZINC000016687887	569070484	/nfs/dbraw/zinc/07/04/84/569070484.db2.gz	FOKPBOWTVDCDMR-UHFFFAOYSA-N	-1	3	423.429	4.366	40	5		HIBBHM
CCCC[N-]C(=S)C(=O)Nc1cc(Oc2ccc(OCC)cc2)cc([N+](=O)[O-])c1	ZINC000005712717	560827778	/nfs/dbraw/zinc/82/77/78/560827778.db2.gz	YCJXRPLPTRJQJS-UHFFFAOYSA-N	-1	3	417.487	4.441	40	5		HIBBHM
COc1ccc(-c2nc3cc([N-]C(=O)c4ccc([N+](=O)[O-])o4)ccc3o2)cc1OC	ZINC000020411979	568605021	/nfs/dbraw/zinc/60/50/21/568605021.db2.gz	NOAVRLYGZAPJKJ-UHFFFAOYSA-N	-1	3	409.354	4.266	40	5		HIBBHM
O=C(NC(=S)[N-]c1ccccc1[N+](=O)[O-])c1ccc(OCc2ccccc2)cc1	ZINC000017087667	569274120	/nfs/dbraw/zinc/27/41/20/569274120.db2.gz	YQOVSXWTIDAUGM-UHFFFAOYSA-N	-1	3	407.451	4.301	40	5		HIBBHM
CC(C)(C)[C@@H]1CCC2=C(C1)[C@@]([O-])(C(F)(F)F)N(C(=O)c1ccc([N+](=O)[O-])cc1)N2	ZINC000409101884	559240812	/nfs/dbraw/zinc/24/08/12/559240812.db2.gz	BUTJAZDVDDMQHF-UVBSCNOISA-N	-1	3	413.396	4.120	40	5		HIBBHM
O=C1c2cccc3c(Br)c([N+](=O)[O-])cc(c32)C(=O)N1c1ccc([O-])cc1	ZINC000001421568	132245805	/nfs/dbraw/zinc/24/58/05/132245805.db2.gz	KUNOVFJLYMHJLL-UHFFFAOYSA-N	-1	3	413.183	4.017	40	5		HIBBHM