smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1CCC[N@@H+](C)C1	ZINC000216910305	241219611	/nfs/dbraw/zinc/21/96/11/241219611.db2.gz	GYIRVNLMJBKOSQ-LLVKDONJSA-N	1	1	336.388	1.771	40	70		EDIBMO
COCCCNC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@@H+](C)C1	ZINC000216910126	536587809	/nfs/dbraw/zinc/58/78/09/536587809.db2.gz	NYIFDVFQIQPCAW-CQSZACIVSA-N	1	1	333.432	1.733	40	70		EDIBMO
Cc1cc(C)cc(O[C@H](C)C(=O)NCCC[NH+]2CCN(C)CC2)c1	ZINC000217033428	241233403	/nfs/dbraw/zinc/23/34/03/241233403.db2.gz	IYAHZFSLPGCHAB-QGZVFWFLSA-N	1	1	333.476	1.824	40	70		EDIBMO
C[N@H+]1C[C@@]2(C)CN(C(=S)NC(=O)c3ccccc3)C[C@@](C)(C1)[C@H]2O	ZINC000217837071	241277607	/nfs/dbraw/zinc/27/76/07/241277607.db2.gz	IBVLDUKDULBWAB-XGWQRUHWSA-N	1	1	347.484	1.336	40	70		EDIBMO
Cc1cc(C)cc(O[C@@H](C)C(=O)NCCC[NH+]2CCN(C)CC2)c1	ZINC000217033377	241234294	/nfs/dbraw/zinc/23/42/94/241234294.db2.gz	IYAHZFSLPGCHAB-KRWDZBQOSA-N	1	1	333.476	1.824	40	70		EDIBMO
O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2cc(=O)n3ccccc3n2)C1	ZINC000217561139	241258906	/nfs/dbraw/zinc/25/89/06/241258906.db2.gz	FOTVPNZLEBNJSY-LSDHHAIUSA-N	1	1	348.406	1.476	40	70		EDIBMO
Cc1cc(=O)c(O)c(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)n1C	ZINC000217556300	241258945	/nfs/dbraw/zinc/25/89/45/241258945.db2.gz	VVBYSEHYHBKYKN-UONOGXRCSA-N	1	1	341.411	1.180	40	70		EDIBMO
Cc1cc(C)c(C)c(OCC(=O)NCCC[NH+]2CCN(C)CC2)c1	ZINC000217012257	241229534	/nfs/dbraw/zinc/22/95/34/241229534.db2.gz	GCFKRYQJPIGVFE-UHFFFAOYSA-N	1	1	333.476	1.744	40	70		EDIBMO
COc1ccc(Nc2cc(N3CC[NH+](C)CC3)ncn2)cc1OC	ZINC000216847633	241216377	/nfs/dbraw/zinc/21/63/77/241216377.db2.gz	UYIVZAHITKTHBP-UHFFFAOYSA-N	1	1	329.404	1.989	40	70		EDIBMO
COC(=O)c1ccccc1Nc1cc(N2CC[NH+](C)CC2)ncn1	ZINC000216847796	241214823	/nfs/dbraw/zinc/21/48/23/241214823.db2.gz	OMINLDHHMRKUCI-UHFFFAOYSA-N	1	1	327.388	1.759	40	70		EDIBMO
Cc1ccc(C)c(O[C@@H](C)C(=O)NCCC[NH+]2CCN(C)CC2)c1	ZINC000217015009	241231020	/nfs/dbraw/zinc/23/10/20/241231020.db2.gz	YNUVIPVULKQPFH-KRWDZBQOSA-N	1	1	333.476	1.824	40	70		EDIBMO
Cc1ccc(C)c(O[C@H](C)C(=O)NCCC[NH+]2CCN(C)CC2)c1	ZINC000217015050	241231586	/nfs/dbraw/zinc/23/15/86/241231586.db2.gz	YNUVIPVULKQPFH-QGZVFWFLSA-N	1	1	333.476	1.824	40	70		EDIBMO
COc1ccccc1O[C@H](C)C(=O)NCCC[NH+]1CCN(C)CC1	ZINC000217031982	241233100	/nfs/dbraw/zinc/23/31/00/241233100.db2.gz	ZNTVNVYCFIMTTO-OAHLLOKOSA-N	1	1	335.448	1.216	40	70		EDIBMO
COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1CCC[N@@H+](C)C1	ZINC000216910341	241219950	/nfs/dbraw/zinc/21/99/50/241219950.db2.gz	GYIRVNLMJBKOSQ-NSHDSACASA-N	1	1	336.388	1.771	40	70		EDIBMO
COc1ccc(OC)c(Nc2cc(N3CC[NH+](C)CC3)ncn2)c1	ZINC000216847592	241215458	/nfs/dbraw/zinc/21/54/58/241215458.db2.gz	AYCDGBDFUZOUOZ-UHFFFAOYSA-N	1	1	329.404	1.989	40	70		EDIBMO
Cc1ccc(O[C@@H](C)C(=O)NCCC[NH+]2CCN(C)CC2)cc1C	ZINC000217032404	241232182	/nfs/dbraw/zinc/23/21/82/241232182.db2.gz	QTHPUWRWNPDYDV-KRWDZBQOSA-N	1	1	333.476	1.824	40	70		EDIBMO
COCCCNC(=O)c1ccccc1NC(=O)[C@H]1CCC[N@@H+](C)C1	ZINC000216910156	536588124	/nfs/dbraw/zinc/58/81/24/536588124.db2.gz	NYIFDVFQIQPCAW-AWEZNQCLSA-N	1	1	333.432	1.733	40	70		EDIBMO
CC[C@H](Oc1ccccc1OC)C(=O)NCCC[NH+]1CCN(C)CC1	ZINC000217033890	241234270	/nfs/dbraw/zinc/23/42/70/241234270.db2.gz	JMDIXHFTJGFSFJ-INIZCTEOSA-N	1	1	349.475	1.606	40	70		EDIBMO
COc1ccccc1O[C@@H](C)C(=O)NCCC[NH+]1CCN(C)CC1	ZINC000217031942	241233190	/nfs/dbraw/zinc/23/31/90/241233190.db2.gz	ZNTVNVYCFIMTTO-HNNXBMFYSA-N	1	1	335.448	1.216	40	70		EDIBMO
O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2nc3ccccc3c(=O)[nH]2)C1	ZINC000217563645	241258895	/nfs/dbraw/zinc/25/88/95/241258895.db2.gz	LTQWZVKMMYOFHQ-UONOGXRCSA-N	1	1	348.406	1.704	40	70		EDIBMO
O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2nc3ccccc3c(=O)[nH]2)C1	ZINC000217563645	241258897	/nfs/dbraw/zinc/25/88/97/241258897.db2.gz	LTQWZVKMMYOFHQ-UONOGXRCSA-N	1	1	348.406	1.704	40	70		EDIBMO
CC[C@H](Oc1ccc(C)cc1)C(=O)NCCC[NH+]1CCN(C)CC1	ZINC000217034681	536045634	/nfs/dbraw/zinc/04/56/34/536045634.db2.gz	HIFWDWJNOBVTBT-SFHVURJKSA-N	1	1	333.476	1.906	40	70		EDIBMO