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@@H]1CCC[C@H](CO)[N@H+]1CCOC(=O)N(C)C	ZINC000159398484	350100930	/nfs/dbraw/zinc/10/09/30/350100930.db2.gz	ISQGCOZFVDVUON-GHMZBOCLSA-N	1	1	244.335	0.920	50	70		BCIAMO
CCc1[nH+]ccn1CC(=O)N[C@H]1C[C@@H]2OCC[C@H]12	ZINC000218700373	172024393	/nfs/dbraw/zinc/02/43/93/172024393.db2.gz	TWBQNTNFWVLFFF-VWYCJHECSA-N	1	1	249.314	0.739	50	70		BCIAMO
CC[NH+]1CCC(N[C@@H]2COCC[C@H]2O)CC1	ZINC000217012518	350029279	/nfs/dbraw/zinc/02/92/79/350029279.db2.gz	NSHSVBDERVJKDB-VXGBXAGGSA-N	1	1	228.336	0.210	50	70		BCIAMO
OC[C@H](O)C[N@H+]1CCC[C@@H]2CCCC[C@@H]21	ZINC000217547665	537906261	/nfs/dbraw/zinc/90/62/61/537906261.db2.gz	PPEOZMCQJPKHAA-TUAOUCFPSA-N	1	1	213.321	0.994	50	70		BCIAMO
COCC[N@@H+]1CCCn2nc(CO)cc2C1	ZINC000217812072	174308367	/nfs/dbraw/zinc/30/83/67/174308367.db2.gz	UQDFFVAMPVSVQW-UHFFFAOYSA-N	1	1	225.292	0.228	50	70		BCIAMO
COCC[N@H+]1CCCn2nc(CO)cc2C1	ZINC000217812072	174308368	/nfs/dbraw/zinc/30/83/68/174308368.db2.gz	UQDFFVAMPVSVQW-UHFFFAOYSA-N	1	1	225.292	0.228	50	70		BCIAMO
C[C@@H]1CCC[C@@H](CO)[N@H+]1CCOC(=O)N(C)C	ZINC000159398783	350103117	/nfs/dbraw/zinc/10/31/17/350103117.db2.gz	ISQGCOZFVDVUON-MNOVXSKESA-N	1	1	244.335	0.920	50	70		BCIAMO
CC(C)Cc1cc(C(=O)N2CC[C@@H]([NH3+])C2)n[nH]1	ZINC000160227011	386692623	/nfs/dbraw/zinc/69/26/23/386692623.db2.gz	XWKAKYLHWGEOQC-SECBINFHSA-N	1	1	236.319	0.781	50	70		BCIAMO
C[C@H]1CCC[C@@H](CO)[N@H+]1CCOC(=O)N(C)C	ZINC000159398916	345464820	/nfs/dbraw/zinc/46/48/20/345464820.db2.gz	ISQGCOZFVDVUON-QWRGUYRKSA-N	1	1	244.335	0.920	50	70		BCIAMO
Cc1c[nH]c(C(=O)N(C)CCn2cc[nH+]c2C)n1	ZINC000217191021	385877755	/nfs/dbraw/zinc/87/77/55/385877755.db2.gz	BBSFVOYMUUPIIO-UHFFFAOYSA-N	1	1	247.302	0.995	50	70		BCIAMO
Cc1cc(NCCn2ccnn2)nc(C)[nH+]1	ZINC000159621494	350955366	/nfs/dbraw/zinc/95/53/66/350955366.db2.gz	WBQOMEPPVFVUGC-UHFFFAOYSA-N	1	1	218.264	0.797	50	70		BCIAMO