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](O)[C@@H](C)OC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@@H]2[N@H+](C)C1	ZINC000040375124	205068113	/nfs/dbraw/zinc/06/81/13/205068113.db2.gz	YLCYDARNSJPGCV-ANTXTCRVSA-N	1	0	356.466	2.451	1	10		FECFRO
Nc1ccc(CCn2cnc3c2ncnc3N[C@H]2CCC[C@H]([NH3+])C2)cc1	ZINC000040873795	205084204	/nfs/dbraw/zinc/08/42/04/205084204.db2.gz	INPKWYRDAPTFMY-HOTGVXAUSA-N	1	0	351.458	2.333	1	10		FECFRO
C[NH+](C)CCNc1ccc2ncnc3c2c1C(=O)c1c(O)ccc(O)c1-3	ZINC000001488900	206885537	/nfs/dbraw/zinc/88/55/37/206885537.db2.gz	IHOBVNSDQRMNBZ-UHFFFAOYSA-N	1	0	350.378	2.226	1	10		FECFRO
Nc1ccc(CCn2cnc3c2ncnc3N[C@@H]2CCC[C@@H]([NH3+])C2)cc1	ZINC000040873797	208272806	/nfs/dbraw/zinc/27/28/06/208272806.db2.gz	INPKWYRDAPTFMY-HZPDHXFCSA-N	1	0	351.458	2.333	1	10		FECFRO
Nc1ccc(CCn2cnc3c2ncnc3N[C@H]2CCC[C@@H]([NH3+])C2)cc1	ZINC000040873799	208272708	/nfs/dbraw/zinc/27/27/08/208272708.db2.gz	INPKWYRDAPTFMY-CVEARBPZSA-N	1	0	351.458	2.333	1	10		FECFRO
CCCCNC(=O)OCCC[C@H](C)[NH2+]C[C@H](O)c1ccc(O)c(O)c1	ZINC000027722630	207938894	/nfs/dbraw/zinc/93/88/94/207938894.db2.gz	NTIKQHXVJFNSPU-GUYCJALGSA-N	1	0	354.447	2.416	1	10		FECFRO
O=C1c2onc(-c3ccc[n+](Cc4cnccn4)c3)c2C(=O)c2ccccc21	ZINC000084714114	208962844	/nfs/dbraw/zinc/96/28/44/208962844.db2.gz	JJIWQOXFWFDQDU-UHFFFAOYSA-N	1	0	369.360	2.243	1	10		FECFRO
C[NH+]1CCN(c2ccc3c(c2)CCN(C(=O)c2ccc([N+](=O)[O-])o2)C3)CC1	ZINC000040564139	132946611	/nfs/dbraw/zinc/94/66/11/132946611.db2.gz	XTONOOJINRUDPJ-UHFFFAOYSA-N	1	0	370.409	2.138	1	10		FECFRO
CN(C)S(=O)(=O)C[C@@H]1C[C@H]2c3cccc4c3c(cn4C)C[C@@H]2[N@H+](C)C1	ZINC000009224265	560211161	/nfs/dbraw/zinc/21/11/61/560211161.db2.gz	WYCMFCPHWDZHMR-SKDZVZGDSA-N	1	0	361.511	2.030	1	10	in-vitro	FECFRO
CN(C)S(=O)(=O)C[C@H]1C[C@H]2c3cccc4c3c(cn4C)C[C@@H]2[N@H+](C)C1	ZINC000007997205	560206654	/nfs/dbraw/zinc/20/66/54/560206654.db2.gz	WYCMFCPHWDZHMR-OWQGQXMQSA-N	1	0	361.511	2.030	1	10	in-vitro	FECFRO
COc1ccc2c(c1)C1=[NH+]CCN(CCO)c3ccc([N+](=O)[O-])c(c31)N2	ZINC000005733919	204223649	/nfs/dbraw/zinc/22/36/49/204223649.db2.gz	RKLOTADXXZJKEJ-UHFFFAOYSA-N	1	0	354.366	2.310	1	10		FECFRO
O=S(=O)(NCC[NH2+]Cc1ccc2cccnc2c1O)c1ccccc1	ZINC000053294939	205192250	/nfs/dbraw/zinc/19/22/50/205192250.db2.gz	XJQVBYSDYATUTD-UHFFFAOYSA-N	1	0	357.435	2.009	1	10		FECFRO
COc1cc([C@H](O)[C@@H]2[NH2+]CCc3cc(O)c(O)cc32)cc(OC)c1OC	ZINC000169315668	206250652	/nfs/dbraw/zinc/25/06/52/206250652.db2.gz	MRHXJYSWOHVYII-MSOLQXFVSA-N	1	0	361.394	2.044	1	10		FECFRO
Nc1ccc(CCn2cnc3c2ncnc3N[C@@H]2CCC[C@H]([NH3+])C2)cc1	ZINC000040873793	208272078	/nfs/dbraw/zinc/27/20/78/208272078.db2.gz	INPKWYRDAPTFMY-JKSUJKDBSA-N	1	0	351.458	2.333	1	10		FECFRO
c1cncc(-c2nc(N3CCOCC3)nc3c2CCN3c2cc[nH+]cc2)c1	ZINC000095598123	132215955	/nfs/dbraw/zinc/21/59/55/132215955.db2.gz	XTOHBNFGENPQAN-UHFFFAOYSA-N	1	0	360.421	2.464	1	10		FECFRO
COc1ccc(N2CC[N+]3(CCN(C(=O)c4ccccc4)CC3)CC2)cc1	ZINC000066112199	536707226	/nfs/dbraw/zinc/70/72/26/536707226.db2.gz	CWASNHIHQMNNFO-UHFFFAOYSA-N	1	0	366.485	2.488	1	10		FECFRO
Cc1ccc(C(=O)NCC[C@H](C)[NH2+]C[C@H](O)c2ccc(O)c(O)c2)cc1	ZINC000027719043	220544037	/nfs/dbraw/zinc/54/40/37/220544037.db2.gz	CHZAPKPMBNEEIR-LIRRHRJNSA-N	1	0	358.438	2.238	1	10		FECFRO