smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCCCCCCCC[C@@H](O)[C@H]([NH3+])CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000008218928	560207270	/nfs/dbraw/zinc/20/72/70/560207270.db2.gz	FIFSBOWKHSUGDL-YFHVVFTDSA-N	1	0	463.656	1.972	10	30	in-vitro	JDEERO
CCCCCCCCCCCCCCC[C@@H](O)[C@@H]([NH3+])CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000008218933	560207285	/nfs/dbraw/zinc/20/72/85/560207285.db2.gz	FIFSBOWKHSUGDL-RSDUFEJWSA-N	1	0	463.656	1.972	10	30	in-vitro	JDEERO
CCCCCCCCCCCCCCC[C@H](O)[C@@H]([NH3+])CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000008218930	560207301	/nfs/dbraw/zinc/20/73/01/560207301.db2.gz	FIFSBOWKHSUGDL-HOASPINLSA-N	1	0	463.656	1.972	10	30	in-vitro	JDEERO
CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1cccc2ccccc21)C(=O)N[C@@H](C)C(=O)NCC[NH3+]	ZINC000038337298	569801348	/nfs/dbraw/zinc/80/13/48/569801348.db2.gz	YIQGURXEEICMRF-WEYGHZABSA-N	1	0	499.612	1.005	10	30		JDEERO
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)[NH2+]C[C@H](NC[C@@H]([NH3+])CS)C(C)C)C(=O)[O-]	ZINC000144683735	569867744	/nfs/dbraw/zinc/86/77/44/569867744.db2.gz	QISLMXIYRQCLIR-FYQPLNBISA-N	1	0	470.705	1.381	10	30		JDEERO
C[NH2+]Cc1ccc(CSCCNC(=NS(C)(=O)=O)NC[C@@H](O)c2ccc(O)cc2)o1	ZINC000011616140	522118178	/nfs/dbraw/zinc/11/81/78/522118178.db2.gz	GZPOYVTZKHVRHE-GOSISDBHSA-N	1	0	456.590	1.166	10	30	investigational	JDEERO
O=C(N1CCCN(C(=O)C(F)(F)F)CCN(C(=O)C(F)(F)F)CCC[NH2+]CC1)C(F)(F)F	ZINC000072400597	569703675	/nfs/dbraw/zinc/70/36/75/569703675.db2.gz	YAJIMXYFYCOBMX-UHFFFAOYSA-N	1	0	488.351	1.543	10	30	in-vitro	JDEERO
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)[NH2+]C[C@@H](NC[C@H]([NH3+])CS)C(C)C)C(=O)[O-]	ZINC000019362761	556345298	/nfs/dbraw/zinc/34/52/98/556345298.db2.gz	QISLMXIYRQCLIR-LWYYNNOASA-N	1	0	470.705	1.381	10	30		JDEERO
C[C@H]1O[C@@H]2CC(=O)O[C@@H]2C2=C1C(=O)c1c(O)c([C@H]3C[C@@H]([NH+](C)C)[C@H](O)[C@@H](C)O3)ccc1C2=O	ZINC000005760159	562934806	/nfs/dbraw/zinc/93/48/06/562934806.db2.gz	NYJGMJFBEVSQNN-CNRHASOASA-N	1	0	457.479	1.312	10	30	in-vitro	JDEERO
CCCCCCCCCCCCCCC[C@H](O)[C@H]([NH3+])CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000008218925	560207315	/nfs/dbraw/zinc/20/73/15/560207315.db2.gz	FIFSBOWKHSUGDL-VNMVBPPZSA-N	1	0	463.656	1.972	10	30	in-vitro	JDEERO
CC1CCN(C(=O)[C@H](CCCNC(N)=[NH2+])NS(=O)(=O)c2cccc3c2cccc3N(C)C)CC1	ZINC000013779737	562991523	/nfs/dbraw/zinc/99/15/23/562991523.db2.gz	JVLBGBDQWIMMLO-FQEVSTJZSA-N	1	0	488.658	1.865	10	30		JDEERO
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)[NH2+]C[C@H](NC[C@H]([NH3+])CS)C(C)C)C(=O)[O-]	ZINC000019362759	556345382	/nfs/dbraw/zinc/34/53/82/556345382.db2.gz	QISLMXIYRQCLIR-MUGJNUQGSA-N	1	0	470.705	1.381	10	30		JDEERO