smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)OCCCNCC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)C[NH2+]CCCOC(C)C)cc2)cc1	ZINC000004783078	552481917	/nfs/dbraw/zinc/48/19/17/552481917.db2.gz	MMEYZHIPSMNYDE-UHFFFAOYSA-N	1	3	562.733	3.206	40	0		KGABHO
CC(C)NC(=O)c1cc(NC(=O)c2ccc(C(=O)Nc3cc(C(=O)NC(C)C)cc(C4=[NH+]CCN4)c3)cc2)cc(C2=NCCN2)c1	ZINC000004945802	552490097	/nfs/dbraw/zinc/49/00/97/552490097.db2.gz	DQMALXXPRJLCBA-UHFFFAOYSA-N	1	3	622.730	3.167	40	0		KGABHO
COC(=O)C1=C2Nc3ccccc3[C@]23CCN2[C@H]3[C@@]3(CCO[C@H]3[C@@]3(C[C@@H]4C[C@]56CCO[C@@H]5CC[N@H+]5CC[C@]7(c8cccc(OC)c8N(C3)[C@]47O)[C@H]56)[C@H]2O)C1	ZINC000257439709	572322475	/nfs/dbraw/zinc/32/24/75/572322475.db2.gz	HUWNUSVUJDHPHX-KGGSUNSYSA-N	1	3	734.894	3.481	40	0		KGABHO
COC(=O)C1=C2Nc3ccccc3[C@]23CCN2[C@H]3[C@@]3(CCO[C@H]3[C@@]3(C[C@@H]4C[C@]56CCO[C@@H]5CC[N@@H+]5CC[C@]7(c8cccc(OC)c8N(C3)[C@]47O)[C@H]56)[C@H]2O)C1	ZINC000257439709	572322474	/nfs/dbraw/zinc/32/24/74/572322474.db2.gz	HUWNUSVUJDHPHX-KGGSUNSYSA-N	1	3	734.894	3.481	40	0		KGABHO
COC(=O)C1=C2Nc3ccccc3[C@]23CCN2[C@@H]3[C@@]3(CCO[C@H]3[C@@]3(C[C@@H]4C[C@]56CCO[C@@H]5CC[N@H+]5CC[C@]7(c8cccc(OC)c8N(C3)[C@]47O)[C@H]56)[C@H]2O)C1	ZINC000257439710	572322445	/nfs/dbraw/zinc/32/24/45/572322445.db2.gz	HUWNUSVUJDHPHX-MEEXXBSSSA-N	1	3	734.894	3.481	40	0		KGABHO
COC(=O)C1=C2Nc3ccccc3[C@]23CCN2[C@@H]3[C@@]3(CCO[C@H]3[C@@]3(C[C@@H]4C[C@]56CCO[C@@H]5CC[N@@H+]5CC[C@]7(c8cccc(OC)c8N(C3)[C@]47O)[C@H]56)[C@H]2O)C1	ZINC000257439710	572322444	/nfs/dbraw/zinc/32/24/44/572322444.db2.gz	HUWNUSVUJDHPHX-MEEXXBSSSA-N	1	3	734.894	3.481	40	0		KGABHO
COC(=O)C1=C2Nc3ccccc3[C@]23CCN2[C@H]3[C@]3(CCO[C@H]3[C@@]3(C[C@@H]4C[C@]56CCO[C@@H]5CC[N@H+]5CC[C@]7(c8cccc(OC)c8N(C3)[C@]47O)[C@H]56)[C@H]2O)C1	ZINC000257439711	572322456	/nfs/dbraw/zinc/32/24/56/572322456.db2.gz	HUWNUSVUJDHPHX-OIXOIYOKSA-N	1	3	734.894	3.481	40	0		KGABHO
COC(=O)C1=C2Nc3ccccc3[C@]23CCN2[C@H]3[C@]3(CCO[C@H]3[C@@]3(C[C@@H]4C[C@]56CCO[C@@H]5CC[N@@H+]5CC[C@]7(c8cccc(OC)c8N(C3)[C@]47O)[C@H]56)[C@H]2O)C1	ZINC000257439711	572322455	/nfs/dbraw/zinc/32/24/55/572322455.db2.gz	HUWNUSVUJDHPHX-OIXOIYOKSA-N	1	3	734.894	3.481	40	0		KGABHO
COC(=O)C1=C2Nc3ccccc3[C@]23CCN2[C@@H]3[C@]3(CCO[C@H]3[C@@]3(C[C@@H]4C[C@]56CCO[C@@H]5CC[N@H+]5CC[C@]7(c8cccc(OC)c8N(C3)[C@]47O)[C@H]56)[C@H]2O)C1	ZINC000257439712	572322469	/nfs/dbraw/zinc/32/24/69/572322469.db2.gz	HUWNUSVUJDHPHX-XCRNXLACSA-N	1	3	734.894	3.481	40	0		KGABHO
COC(=O)C1=C2Nc3ccccc3[C@]23CCN2[C@@H]3[C@]3(CCO[C@H]3[C@@]3(C[C@@H]4C[C@]56CCO[C@@H]5CC[N@@H+]5CC[C@]7(c8cccc(OC)c8N(C3)[C@]47O)[C@H]56)[C@H]2O)C1	ZINC000257439712	572322468	/nfs/dbraw/zinc/32/24/68/572322468.db2.gz	HUWNUSVUJDHPHX-XCRNXLACSA-N	1	3	734.894	3.481	40	0		KGABHO
COc1cc(CN2CCC3(CC2)C[C@H](N(C)C(=O)OC(C)(C)C)[C@@](C)(O)CO3)ccc1OCC[NH+](C)C	ZINC000585272924	1059089450	/nfs/dbraw/zinc/08/94/50/1059089450.db2.gz	NLWSTRROCPBNNK-IGKIAQTJSA-N	1	3	521.699	3.377	40	0		KGABHO
COc1cc(CN2C[C@H](O)[C@@H](N3CCN(c4ccccc4)CC3)C2)ccc1OCC[NH+]1CCC(C)CC1	ZINC000585273035	1059090277	/nfs/dbraw/zinc/09/02/77/1059090277.db2.gz	OUILVJFELVXGHD-NSOVKSMOSA-N	1	3	508.707	3.173	40	0		KGABHO
Cc1c(C(=O)N2CCCC2)sc2ncnc(NC3CC[NH+](Cc4ccc(OCCN5CCN(C)CC5)cc4)CC3)c12	ZINC000585293697	1059539823	/nfs/dbraw/zinc/53/98/23/1059539823.db2.gz	KFKPUOOHJUAGLL-UHFFFAOYSA-N	1	3	577.799	3.360	40	0		KGABHO