smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2cccc([N+](=O)[O-])c2)CC(=O)N3)CC1	ZINC000022610191	521047876	/nfs/dbraw/zinc/04/78/76/521047876.db2.gz	ZOPRPJLGNQGSKI-CQSZACIVSA-N	-1	3	426.433	1.979	40	5		IDBBHM
Cc1ccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1	ZINC000408667703	556056129	/nfs/dbraw/zinc/05/61/29/556056129.db2.gz	JQHJVBSFKRXQRU-OAHLLOKOSA-N	-1	3	440.412	1.578	40	5		IDBBHM
O=C(COC(=O)[C@@H]1CC(=O)N([N-]C(=O)c2ccc([N+](=O)[O-])cc2)C1)Nc1ccc(F)cc1	ZINC000408657864	556613926	/nfs/dbraw/zinc/61/39/26/556613926.db2.gz	PNQHVKHSLPZEGZ-CYBMUJFWSA-N	-1	3	444.375	1.409	40	5		IDBBHM
O=C(COC(=O)[C@H]1CC(=O)N([N-]C(=O)c2ccc([N+](=O)[O-])cc2)C1)Nc1ccccc1	ZINC000408654616	556613483	/nfs/dbraw/zinc/61/34/83/556613483.db2.gz	KNZBOKQKWJCNAY-AWEZNQCLSA-N	-1	3	426.385	1.270	40	5		IDBBHM
C[C@@H]1CCCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccccc2[N+](=O)[O-])CC(=O)N3)C1	ZINC000139083094	569138449	/nfs/dbraw/zinc/13/84/49/569138449.db2.gz	GDYGJZDLBYQZKW-VXGBXAGGSA-N	-1	3	426.433	1.979	40	5		IDBBHM
C[C@H]1CCCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccccc2[N+](=O)[O-])CC(=O)N3)C1	ZINC000040388900	569500719	/nfs/dbraw/zinc/50/07/19/569500719.db2.gz	GDYGJZDLBYQZKW-RYUDHWBXSA-N	-1	3	426.433	1.979	40	5		IDBBHM
CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)c2c(O)n(-c3ccccc3OC)c([O-])c12	ZINC000100942597	557203179	/nfs/dbraw/zinc/20/31/79/557203179.db2.gz	CSWNUPOLUWUUAZ-WMZOPIPTSA-N	-1	3	438.396	1.901	40	5		IDBBHM
O=c1[n-]c(NC2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)nc2c1CCCC2	ZINC000057721266	557259300	/nfs/dbraw/zinc/25/93/00/557259300.db2.gz	BNSBARVCRRMQCH-UHFFFAOYSA-N	-1	3	433.490	1.822	40	5		IDBBHM
CN(C)S(=O)(=O)c1ccc(OCC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000224220751	568916574	/nfs/dbraw/zinc/91/65/74/568916574.db2.gz	UJYYETNDOZLXKR-UHFFFAOYSA-N	-1	3	429.476	1.202	40	5		IDBBHM
Cc1ccccc1NC(=O)COC(=O)[C@@H]1CC(=O)N([N-]C(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000138520647	568985840	/nfs/dbraw/zinc/98/58/40/568985840.db2.gz	WRVOPWZUGNVIQX-OAHLLOKOSA-N	-1	3	440.412	1.578	40	5		IDBBHM
Cc1cccc(NC(=O)COC(=O)[C@H]2CC(=O)N([N-]C(=O)c3ccc([N+](=O)[O-])cc3)C2)c1	ZINC000408653511	556613162	/nfs/dbraw/zinc/61/31/62/556613162.db2.gz	IGRDAPDKZZTSRX-HNNXBMFYSA-N	-1	3	440.412	1.578	40	5		IDBBHM
C[C@H]1CCCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccccc2[N+](=O)[O-])CC(=O)N3)C1	ZINC000139083196	569138369	/nfs/dbraw/zinc/13/83/69/569138369.db2.gz	GDYGJZDLBYQZKW-NWDGAFQWSA-N	-1	3	426.433	1.979	40	5		IDBBHM
Cc1cccc(NC(=O)COC(=O)[C@@H]2CC(=O)N([N-]C(=O)c3ccc([N+](=O)[O-])cc3)C2)c1	ZINC000408653512	556613179	/nfs/dbraw/zinc/61/31/79/556613179.db2.gz	IGRDAPDKZZTSRX-OAHLLOKOSA-N	-1	3	440.412	1.578	40	5		IDBBHM
O=C(COC(=O)[C@@H]1CC(=O)N([N-]C(=O)c2ccc([N+](=O)[O-])cc2)C1)Nc1ccccc1	ZINC000408654617	556613467	/nfs/dbraw/zinc/61/34/67/556613467.db2.gz	KNZBOKQKWJCNAY-CQSZACIVSA-N	-1	3	426.385	1.270	40	5		IDBBHM
C[C@@H]1CCCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC(=O)N3)C1	ZINC000139077847	569138314	/nfs/dbraw/zinc/13/83/14/569138314.db2.gz	DWBHPHIZJDPXTM-BXUZGUMPSA-N	-1	3	426.433	1.979	40	5		IDBBHM
C[C@H]1CCCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC(=O)N3)C1	ZINC000040388808	569500737	/nfs/dbraw/zinc/50/07/37/569500737.db2.gz	DWBHPHIZJDPXTM-FZMZJTMJSA-N	-1	3	426.433	1.979	40	5		IDBBHM
CC1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2cccc([N+](=O)[O-])c2)CC(=O)N3)CC1	ZINC000022610195	521048283	/nfs/dbraw/zinc/04/82/83/521048283.db2.gz	ZOPRPJLGNQGSKI-AWEZNQCLSA-N	-1	3	426.433	1.979	40	5		IDBBHM
CC1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccccc2[N+](=O)[O-])CC(=O)N3)CC1	ZINC000022610286	521049025	/nfs/dbraw/zinc/04/90/25/521049025.db2.gz	FWKUFHBGIRCTDS-LBPRGKRZSA-N	-1	3	426.433	1.979	40	5		IDBBHM
CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)c2c(O)n(-c3ccccc3OC)c([O-])c12	ZINC000100942594	557203187	/nfs/dbraw/zinc/20/31/87/557203187.db2.gz	CSWNUPOLUWUUAZ-AEFFLSMTSA-N	-1	3	438.396	1.901	40	5		IDBBHM
C[C@@H]1CCCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC(=O)N3)C1	ZINC000040388807	569500771	/nfs/dbraw/zinc/50/07/71/569500771.db2.gz	DWBHPHIZJDPXTM-RISCZKNCSA-N	-1	3	426.433	1.979	40	5		IDBBHM
CC1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC(=O)N3)CC1	ZINC000022610122	521049226	/nfs/dbraw/zinc/04/92/26/521049226.db2.gz	VNSGTNQYYFKSSB-CQSZACIVSA-N	-1	3	426.433	1.979	40	5		IDBBHM
C[C@@H]1CCCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccccc2[N+](=O)[O-])CC(=O)N3)C1	ZINC000040388898	569500775	/nfs/dbraw/zinc/50/07/75/569500775.db2.gz	GDYGJZDLBYQZKW-NEPJUHHUSA-N	-1	3	426.433	1.979	40	5		IDBBHM
O=C(COC(=O)[C@H]1CC(=O)N([N-]C(=O)c2ccc([N+](=O)[O-])cc2)C1)Nc1ccc(F)cc1	ZINC000408657865	556613904	/nfs/dbraw/zinc/61/39/04/556613904.db2.gz	PNQHVKHSLPZEGZ-ZDUSSCGKSA-N	-1	3	444.375	1.409	40	5		IDBBHM
Cc1ccc(NC(=O)COC(=O)[C@H]2CC(=O)N([N-]C(=O)c3ccc([N+](=O)[O-])cc3)C2)cc1	ZINC000408667702	556056085	/nfs/dbraw/zinc/05/60/85/556056085.db2.gz	JQHJVBSFKRXQRU-HNNXBMFYSA-N	-1	3	440.412	1.578	40	5		IDBBHM
CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)c2c(O)n(-c3ccccc3OC)c([O-])c12	ZINC000100942591	557203048	/nfs/dbraw/zinc/20/30/48/557203048.db2.gz	CSWNUPOLUWUUAZ-SJLPKXTDSA-N	-1	3	438.396	1.901	40	5		IDBBHM
CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)c2c(O)n(-c3ccccc3OC)c([O-])c12	ZINC000016682633	568937718	/nfs/dbraw/zinc/93/77/18/568937718.db2.gz	CSWNUPOLUWUUAZ-FUHWJXTLSA-N	-1	3	438.396	1.901	40	5		IDBBHM
C[C@H]1CCCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC(=O)N3)C1	ZINC000139077946	569138295	/nfs/dbraw/zinc/13/82/95/569138295.db2.gz	DWBHPHIZJDPXTM-SMDDNHRTSA-N	-1	3	426.433	1.979	40	5		IDBBHM
Cc1ccccc1NC(=O)COC(=O)[C@H]1CC(=O)N([N-]C(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000138520748	568985802	/nfs/dbraw/zinc/98/58/02/568985802.db2.gz	WRVOPWZUGNVIQX-HNNXBMFYSA-N	-1	3	440.412	1.578	40	5		IDBBHM
CC1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC(=O)N3)CC1	ZINC000022610126	521047001	/nfs/dbraw/zinc/04/70/01/521047001.db2.gz	VNSGTNQYYFKSSB-AWEZNQCLSA-N	-1	3	426.433	1.979	40	5		IDBBHM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]CCc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000223251408	568787709	/nfs/dbraw/zinc/78/77/09/568787709.db2.gz	MKXPSJVCGDNAPY-UHFFFAOYSA-N	-1	3	439.515	1.900	40	5		IDBBHM
CC1CCN(c2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccccc2[N+](=O)[O-])CC(=O)N3)CC1	ZINC000022610284	521047685	/nfs/dbraw/zinc/04/76/85/521047685.db2.gz	FWKUFHBGIRCTDS-GFCCVEGCSA-N	-1	3	426.433	1.979	40	5		IDBBHM