smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C(C)[C@@H]1CC=C(CN2CCC3(CC2)[C@H](C(=O)OC)CC(=O)N3OCCOC)CC1	ZINC000072124107	558502555	/nfs/dbraw/zinc/50/25/55/558502555.db2.gz	FDVUNRCNKLNYOK-UXHICEINSA-N	0	3	420.550	2.723	10	30		HFEEHN
C=C(C)[C@@H]1CC=C(CN2CCC3(CC2)[C@@H](C(=O)OC)CC(=O)N3OCCOC)CC1	ZINC000072124108	558502518	/nfs/dbraw/zinc/50/25/18/558502518.db2.gz	FDVUNRCNKLNYOK-WOJBJXKFSA-N	0	3	420.550	2.723	10	30		HFEEHN
C=CCON1C(=O)C[C@H](C(=O)OC)C12CCN(Cc1cccc3ncccc13)CC2	ZINC000072158622	558544486	/nfs/dbraw/zinc/54/44/86/558544486.db2.gz	MFVXORKVFBYFQI-LJQANCHMSA-N	0	3	409.486	2.709	10	30		HFEEHN
C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(OS(C)(=O)=O)(c2ccccc2)CC1	ZINC000095914984	568720236	/nfs/dbraw/zinc/72/02/36/568720236.db2.gz	IHCUDTISNOPKBG-OXJNMPFZSA-N	0	3	405.516	2.782	10	30		HFEEHN
C[C@H](NC(=S)N/N=C1\C2CN3CC1(c1ccccc1)CN(C2)CC3)c1ccccc1	ZINC000020551401	525276257	/nfs/dbraw/zinc/27/62/57/525276257.db2.gz	VWNDNANXOHJXTC-PSWJZVBSSA-N	0	3	419.598	2.767	10	30		HFEEHN
COc1ccccc1NC(=S)N/N=C1\C2CN3CC1(c1ccccc1)CN(C2)CC3	ZINC000020275040	558353621	/nfs/dbraw/zinc/35/36/21/558353621.db2.gz	OZQRHBJZLVHTBP-NJNXFGOHSA-N	0	3	421.570	2.537	10	30		HFEEHN
Cc1cccc(NC(=S)N/N=C2\C3CN4CC2(c2ccccc2)CN(C3)CC4)c1	ZINC000020408321	558360652	/nfs/dbraw/zinc/36/06/52/558360652.db2.gz	KKVVZYDJEJIJML-NJNXFGOHSA-N	0	3	405.571	2.836	10	30		HFEEHN
N#Cc1cccc(CN[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3Nc2nccc(-c3cccs3)n2)c1	ZINC000067899034	291227489	/nfs/dbraw/zinc/22/74/89/291227489.db2.gz	JEOXZRZMYMZURN-FMWKFLBASA-N	0	3	419.510	2.813	10	30	biogenic	HFEEHN
CC(C)(C)c1cc(C(=O)C[n+]2ccc(C(=O)NCCO)cc2)cc(C(C)(C)C)c1[O-]	ZINC000026507677	518990377	/nfs/dbraw/zinc/99/03/77/518990377.db2.gz	CVZBFOMTMAGDHL-UHFFFAOYSA-O	0	3	413.538	2.880	10	30		HFEEHN
C#CCOC[C@H](O)CN(CCc1nc(-c2cccc(OC)c2)no1)Cc1ccccc1	ZINC000036155292	518311136	/nfs/dbraw/zinc/31/11/36/518311136.db2.gz	FVCQWCCJTUVGNL-OAQYLSRUSA-N	0	3	421.497	2.801	10	30		HFEEHN
S=C(N/N=C1\C2CN3CC1(Cc1ccccc1)CN(C2)CC3)Nc1ccccc1	ZINC000103548827	559156304	/nfs/dbraw/zinc/15/63/04/559156304.db2.gz	VCTNOKWGKYQUJQ-NJNXFGOHSA-N	0	3	405.571	2.819	10	30		HFEEHN
C#CCOC[C@@H](O)CN(CCc1nc(-c2cccc(OC)c2)no1)Cc1ccccc1	ZINC000036155289	518299444	/nfs/dbraw/zinc/29/94/44/518299444.db2.gz	FVCQWCCJTUVGNL-NRFANRHFSA-N	0	3	421.497	2.801	10	30		HFEEHN
C[C@@H](NC(=S)N/N=C1\C2CN3CC1(c1ccccc1)CN(C2)CC3)c1ccccc1	ZINC000020551399	525386031	/nfs/dbraw/zinc/38/60/31/525386031.db2.gz	VWNDNANXOHJXTC-PBURJXKYSA-N	0	3	419.598	2.767	10	30		HFEEHN
C=CCON1C(=O)C[C@@H](C(=O)OC)C12CCN(Cc1cccc3ncccc13)CC2	ZINC000072158621	518998702	/nfs/dbraw/zinc/99/87/02/518998702.db2.gz	MFVXORKVFBYFQI-IBGZPJMESA-N	0	3	409.486	2.709	10	30		HFEEHN