smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cccc1[N+](=O)[O-]	ZINC000039755384	558687425	/nfs/dbraw/zinc/68/74/25/558687425.db2.gz	RCTYZENLWOUPCU-UHFFFAOYSA-N	1	1	405.857	4.546	40	5		HJBBMO
CC(=O)c1ccc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c([N+](=O)[O-])c1	ZINC000028498727	568785217	/nfs/dbraw/zinc/78/52/17/568785217.db2.gz	CXWUNNRKWRZELK-UHFFFAOYSA-N	1	1	415.493	4.709	40	5		HJBBMO
O=C(Nc1cccc([N+](=O)[O-])c1)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1	ZINC000038853928	571087926	/nfs/dbraw/zinc/08/79/26/571087926.db2.gz	DQZZERVVSXASCV-UHFFFAOYSA-N	1	1	408.285	4.752	40	5		HJBBMO
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1	ZINC000030945732	568904565	/nfs/dbraw/zinc/90/45/65/568904565.db2.gz	ZKPKSWIRWVUIJN-AWEZNQCLSA-N	1	1	408.285	4.752	40	5		HJBBMO
O=C(c1ccccc1)[C@H]([C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCCCC1)N1CCCCC1	ZINC000001843050	569056474	/nfs/dbraw/zinc/05/64/74/569056474.db2.gz	KCEDGJCNSXBJOR-RPWUZVMVSA-N	1	1	421.541	4.859	40	5		HJBBMO
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1	ZINC000030945729	568904581	/nfs/dbraw/zinc/90/45/81/568904581.db2.gz	ZKPKSWIRWVUIJN-CQSZACIVSA-N	1	1	408.285	4.752	40	5		HJBBMO
O=C(Nc1cccc([N+](=O)[O-])c1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1	ZINC000038853930	571088027	/nfs/dbraw/zinc/08/80/27/571088027.db2.gz	MWOZMVVSKZGYLQ-UHFFFAOYSA-N	1	1	408.285	4.752	40	5		HJBBMO
O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1	ZINC000038853896	571087943	/nfs/dbraw/zinc/08/79/43/571087943.db2.gz	RYATWDPOOZVWII-ZDUSSCGKSA-N	1	1	408.285	4.752	40	5		HJBBMO
O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1	ZINC000038853896	571087945	/nfs/dbraw/zinc/08/79/45/571087945.db2.gz	RYATWDPOOZVWII-ZDUSSCGKSA-N	1	1	408.285	4.752	40	5		HJBBMO
Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1	ZINC000039747670	571134056	/nfs/dbraw/zinc/13/40/56/571134056.db2.gz	XFBCHZHDPNOPJY-UHFFFAOYSA-N	1	1	405.857	4.546	40	5		HJBBMO
C[C@H]1CCCC[N@H+]1Cc1ccccc1COC(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000006494951	569060715	/nfs/dbraw/zinc/06/07/15/569060715.db2.gz	YXKXKLAOJRECJX-HNNXBMFYSA-N	1	1	402.878	4.980	40	5		HJBBMO
O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1	ZINC000038853882	571087906	/nfs/dbraw/zinc/08/79/06/571087906.db2.gz	UGKBYCWBLQZYGA-CQSZACIVSA-N	1	1	408.285	4.752	40	5		HJBBMO
O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1	ZINC000038853882	571087908	/nfs/dbraw/zinc/08/79/08/571087908.db2.gz	UGKBYCWBLQZYGA-CQSZACIVSA-N	1	1	408.285	4.752	40	5		HJBBMO
Cc1c(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cccc1[N+](=O)[O-]	ZINC000225580654	568774695	/nfs/dbraw/zinc/77/46/95/568774695.db2.gz	CCORLTBQQHNHID-UHFFFAOYSA-N	1	1	405.857	4.546	40	5		HJBBMO
O=C(c1ccccc1)[C@@H]([C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCCCC1)N1CCCCC1	ZINC000001843052	569056426	/nfs/dbraw/zinc/05/64/26/569056426.db2.gz	KCEDGJCNSXBJOR-BJKOFHAPSA-N	1	1	421.541	4.859	40	5		HJBBMO
O=C(c1ccccc1)[C@H]([C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCCCC1)N1CCCCC1	ZINC000001843053	569056432	/nfs/dbraw/zinc/05/64/32/569056432.db2.gz	KCEDGJCNSXBJOR-ZEQRLZLVSA-N	1	1	421.541	4.859	40	5		HJBBMO
Cc1c(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cccc1[N+](=O)[O-]	ZINC000008331193	569340051	/nfs/dbraw/zinc/34/00/51/569340051.db2.gz	DESJXULJWBXYGV-UHFFFAOYSA-N	1	1	401.466	4.714	40	5		HJBBMO
Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1	ZINC000225580569	568774638	/nfs/dbraw/zinc/77/46/38/568774638.db2.gz	BLWQQIIWTUIRIJ-UHFFFAOYSA-N	1	1	405.857	4.546	40	5		HJBBMO
O=C(c1ccccc1)[C@@H]([C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCCCC1)N1CCCCC1	ZINC000001843049	569056472	/nfs/dbraw/zinc/05/64/72/569056472.db2.gz	KCEDGJCNSXBJOR-DNQXCXABSA-N	1	1	421.541	4.859	40	5		HJBBMO
CC[N@@H+](CCNc1ccc(C)c2sc3cc(Cl)ccc3c(=O)c12)CC(C)(C)O	ZINC000004366923	557547565	/nfs/dbraw/zinc/54/75/65/557547565.db2.gz	AXPQKMPCJGVOER-UHFFFAOYSA-N	1	1	418.990	4.881	40	5		HJBBMO
C[C@@H]1CCCC[N@H+]1Cc1ccccc1COC(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000005187375	559289587	/nfs/dbraw/zinc/28/95/87/559289587.db2.gz	YXKXKLAOJRECJX-OAHLLOKOSA-N	1	1	402.878	4.980	40	5		HJBBMO
O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1	ZINC000038853885	571087965	/nfs/dbraw/zinc/08/79/65/571087965.db2.gz	UGKBYCWBLQZYGA-AWEZNQCLSA-N	1	1	408.285	4.752	40	5		HJBBMO
O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1	ZINC000038853885	571087966	/nfs/dbraw/zinc/08/79/66/571087966.db2.gz	UGKBYCWBLQZYGA-AWEZNQCLSA-N	1	1	408.285	4.752	40	5		HJBBMO
O=C(Nc1cccc([N+](=O)[O-])c1)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1	ZINC000038853932	571087882	/nfs/dbraw/zinc/08/78/82/571087882.db2.gz	SHIUMNNRWURZPN-UHFFFAOYSA-N	1	1	408.285	4.752	40	5		HJBBMO
O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1	ZINC000038853894	571087973	/nfs/dbraw/zinc/08/79/73/571087973.db2.gz	RYATWDPOOZVWII-CYBMUJFWSA-N	1	1	408.285	4.752	40	5		HJBBMO
O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1	ZINC000038853894	571087974	/nfs/dbraw/zinc/08/79/74/571087974.db2.gz	RYATWDPOOZVWII-CYBMUJFWSA-N	1	1	408.285	4.752	40	5		HJBBMO