smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc2c(c([N+](=O)[O-])c1)OC[C@@](Cc1ccc(Cl)cc1)(C[N@@H+]1CCC[C@H](C)C1)C2=O	ZINC000034917644	568739540	/nfs/dbraw/zinc/73/95/40/568739540.db2.gz	JFCKYVCQTJQENV-UPCLLVRISA-N	1	1	442.943	5.093	40	5		IKBBMO
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1	ZINC000030945794	569451334	/nfs/dbraw/zinc/45/13/34/569451334.db2.gz	FRJYJHSUCODRQV-UHFFFAOYSA-N	1	1	442.730	5.406	40	5		IKBBMO
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1	ZINC000030945797	569451359	/nfs/dbraw/zinc/45/13/59/569451359.db2.gz	AIHXHQGXMFMGIT-UHFFFAOYSA-N	1	1	442.730	5.406	40	5		IKBBMO
CCCC[N@@H+](CCNc1ccc(C)c2sc3cc(Cl)ccc3c(=O)c12)C[C@@H](C)O	ZINC000008615540	556192179	/nfs/dbraw/zinc/19/21/79/556192179.db2.gz	YDTWYSPDSFVSJK-MRXNPFEDSA-N	1	1	433.017	5.271	40	5		IKBBMO
Cc1cc2c(c([N+](=O)[O-])c1)OC[C@](Cc1ccc(Cl)cc1)(C[N@@H+]1CCC[C@H](C)C1)C2=O	ZINC000016284109	568875318	/nfs/dbraw/zinc/87/53/18/568875318.db2.gz	JFCKYVCQTJQENV-FYSMJZIKSA-N	1	1	442.943	5.093	40	5		IKBBMO
Cc1ccc(S[C@@]2(C[N@@H+]3CCC[C@H](C)C3)COc3c(cc(C)cc3[N+](=O)[O-])C2=O)cc1	ZINC000035189676	525667289	/nfs/dbraw/zinc/66/72/89/525667289.db2.gz	URRKEOIVUWSNJM-XDHUDOTRSA-N	1	1	440.565	5.050	40	5		IKBBMO
C[N@@H+]1CCCCCCCC(=O)[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)CCCCCCC1	ZINC000005599838	556827418	/nfs/dbraw/zinc/82/74/18/556827418.db2.gz	JJVMBEGWPHWXJD-QHCPKHFHSA-N	1	1	432.561	5.316	40	5		IKBBMO
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1	ZINC000030945799	569451325	/nfs/dbraw/zinc/45/13/25/569451325.db2.gz	YFXZSWRFKYQODD-UHFFFAOYSA-N	1	1	442.730	5.406	40	5		IKBBMO
C[N@@H+]1CCCCCCCC(=O)[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)CCCCCCC1	ZINC000004975029	557420840	/nfs/dbraw/zinc/42/08/40/557420840.db2.gz	JJVMBEGWPHWXJD-HSZRJFAPSA-N	1	1	432.561	5.316	40	5		IKBBMO
O=S(=O)(Nc1nccs1)c1ccc(NCc2c3ccccc3nc3ccccc32)cc1	ZINC000005485892	556056152	/nfs/dbraw/zinc/05/61/52/556056152.db2.gz	KWIXSBYLTITJIX-UHFFFAOYSA-N	1	1	446.557	5.257	40	5		IKBBMO
Cc1cc2c(c([N+](=O)[O-])c1)OC[C@@](Cc1ccc(Cl)cc1)(C[N@@H+]1CCC[C@@H](C)C1)C2=O	ZINC000221902504	557123735	/nfs/dbraw/zinc/12/37/35/557123735.db2.gz	JFCKYVCQTJQENV-VOIUYBSRSA-N	1	1	442.943	5.093	40	5		IKBBMO
Cc1ccc(S[C@@]2(C[N@@H+]3CCC[C@@H](C)C3)COc3c(cc(C)cc3[N+](=O)[O-])C2=O)cc1	ZINC000221902271	557122837	/nfs/dbraw/zinc/12/28/37/557122837.db2.gz	URRKEOIVUWSNJM-OSPHWJPCSA-N	1	1	440.565	5.050	40	5		IKBBMO
Cc1cc2c(c([N+](=O)[O-])c1)OC[C@](Cc1ccc(Cl)cc1)(C[N@@H+]1CCC[C@@H](C)C1)C2=O	ZINC000016284107	568875290	/nfs/dbraw/zinc/87/52/90/568875290.db2.gz	JFCKYVCQTJQENV-GYCJOSAFSA-N	1	1	442.943	5.093	40	5		IKBBMO
Cc1ccc(S[C@]2(C[N@@H+]3CCC[C@@H](C)C3)COc3c(cc(C)cc3[N+](=O)[O-])C2=O)cc1	ZINC000016310848	568876633	/nfs/dbraw/zinc/87/66/33/568876633.db2.gz	URRKEOIVUWSNJM-MZNJEOGPSA-N	1	1	440.565	5.050	40	5		IKBBMO
Cc1ccc(S[C@]2(C[N@@H+]3CCC[C@H](C)C3)COc3c(cc(C)cc3[N+](=O)[O-])C2=O)cc1	ZINC000016310851	568876735	/nfs/dbraw/zinc/87/67/35/568876735.db2.gz	URRKEOIVUWSNJM-BXKMTCNYSA-N	1	1	440.565	5.050	40	5		IKBBMO
CCCC[N@@H+](CCNc1ccc(C)c2sc3cc(Cl)ccc3c(=O)c12)C[C@H](C)O	ZINC000004522809	555999307	/nfs/dbraw/zinc/99/93/07/555999307.db2.gz	YDTWYSPDSFVSJK-INIZCTEOSA-N	1	1	433.017	5.271	40	5		IKBBMO
Cc1ncc([N+](=O)[O-])n1CCOc1c(Cl)cc(Cl)cc1C[N@H+](C)C1CCCCC1	ZINC000001558850	568867160	/nfs/dbraw/zinc/86/71/60/568867160.db2.gz	PSWBTWNFJFQMPK-UHFFFAOYSA-N	1	1	441.359	5.250	40	5		IKBBMO