smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ncccc1NC(=O)CCl)C2	ZINC001164833047	720469550	/nfs/dbraw/zinc/46/95/50/720469550.db2.gz	XGPZTOYBTDGZKY-INIZCTEOSA-N	1	2	448.955	1.445	20	50		IDGDLO
Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ccc(NC(=O)CCl)cn1)C2	ZINC001164835039	720477507	/nfs/dbraw/zinc/47/75/07/720477507.db2.gz	WBCMAQJFTFORBB-MRXNPFEDSA-N	1	2	448.955	1.445	20	50		IDGDLO
O=C(CCl)Nc1cccnc1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2	ZINC001164914938	721793077	/nfs/dbraw/zinc/79/30/77/721793077.db2.gz	RMKVPPIGIPFBBT-NRFANRHFSA-N	1	2	431.924	1.762	20	50		IDGDLO
O=C(CCl)Nc1cccnc1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2	ZINC001164914938	721793080	/nfs/dbraw/zinc/79/30/80/721793080.db2.gz	RMKVPPIGIPFBBT-NRFANRHFSA-N	1	2	431.924	1.762	20	50		IDGDLO
Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1ccc(NC(=O)CCl)cn1)C2	ZINC001164835038	720478545	/nfs/dbraw/zinc/47/85/45/720478545.db2.gz	WBCMAQJFTFORBB-INIZCTEOSA-N	1	2	448.955	1.445	20	50		IDGDLO
O=C(CCl)Nc1cccnc1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2	ZINC001164914939	721793424	/nfs/dbraw/zinc/79/34/24/721793424.db2.gz	RMKVPPIGIPFBBT-OAQYLSRUSA-N	1	2	431.924	1.762	20	50		IDGDLO
O=C(CCl)Nc1cccnc1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2	ZINC001164914939	721793427	/nfs/dbraw/zinc/79/34/27/721793427.db2.gz	RMKVPPIGIPFBBT-OAQYLSRUSA-N	1	2	431.924	1.762	20	50		IDGDLO
O=C(CCl)Nc1ccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1	ZINC001164915694	721798505	/nfs/dbraw/zinc/79/85/05/721798505.db2.gz	YBVVUPDKRIQGBP-NRFANRHFSA-N	1	2	431.924	1.762	20	50		IDGDLO
O=C(CCl)Nc1ccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1	ZINC001164915694	721798509	/nfs/dbraw/zinc/79/85/09/721798509.db2.gz	YBVVUPDKRIQGBP-NRFANRHFSA-N	1	2	431.924	1.762	20	50		IDGDLO
Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1ncccc1NC(=O)CCl)C2	ZINC001164833048	720469837	/nfs/dbraw/zinc/46/98/37/720469837.db2.gz	XGPZTOYBTDGZKY-MRXNPFEDSA-N	1	2	448.955	1.445	20	50		IDGDLO
O=C(CCl)Nc1ccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)nc1	ZINC001164915695	721798234	/nfs/dbraw/zinc/79/82/34/721798234.db2.gz	YBVVUPDKRIQGBP-OAQYLSRUSA-N	1	2	431.924	1.762	20	50		IDGDLO
O=C(CCl)Nc1ccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)nc1	ZINC001164915695	721798237	/nfs/dbraw/zinc/79/82/37/721798237.db2.gz	YBVVUPDKRIQGBP-OAQYLSRUSA-N	1	2	431.924	1.762	20	50		IDGDLO