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(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P@@](=O)([O-])O[P@](=O)([O-])OC[C@H]1O[C@@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]	ZINC000008551257	553077752	/nfs/dbraw/zinc/07/77/52/553077752.db2.gz	KFWWCMJSYSSPSK-PAXLJYGASA-N	-4	0	835.616	-0.759	50	30	endogenous,in-man	KBEARL
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@H](C=O)CC(=O)[O-]	ZINC000014947179	553522131	/nfs/dbraw/zinc/52/21/31/553522131.db2.gz	KYUFGGNCJRWMDN-GOYXDOSHSA-N	-2	0	500.549	-0.814	50	30	in-vivo	KBEARL
Nc1ncnc2c1ncn2[C@@H](C=O)O[C@@H](C=O)CO[P@@](=O)([O-])O[P@@](=O)([O-])OP(=O)([O-])[O-]	ZINC000025781612	553813556	/nfs/dbraw/zinc/81/35/56/553813556.db2.gz	ZOSTZYMLOPBGQI-NKWVEPMBSA-N	-4	0	505.166	-0.967	50	30		KBEARL
O=C1c2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2NC1=C1Nc2c(cc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])C1=O	ZINC000100125943	554224973	/nfs/dbraw/zinc/22/49/73/554224973.db2.gz	PFGCFTSBVNIOSI-BUHFOSPRSA-N	-4	0	582.524	-0.198	50	30		KBEARL
CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])OCC(C)(C)[C@H](O)C(=O)NCCC(=O)NCCS)[C@@H](OP(=O)([O-])[O-])[C@H]1O	ZINC000169730835	571559675	/nfs/dbraw/zinc/55/96/75/571559675.db2.gz	KUHDCQYBPHGFKV-QQPMNZIESA-N	-4	0	837.632	-0.509	50	30		KBEARL
CCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCS)[C@@H](OP(=O)([O-])[O-])[C@H]1O	ZINC000198054614	1066229167	/nfs/dbraw/zinc/22/91/67/1066229167.db2.gz	KUHDCQYBPHGFKV-CITAKDKDSA-N	-4	0	837.632	-0.509	50	30		KBEARL
CC(C)=CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P@](=O)([O-])O[P@](=O)([O-])OC[C@@H]1O[C@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]	ZINC000255965908	572304362	/nfs/dbraw/zinc/30/43/62/572304362.db2.gz	BXIPALATIYNHJN-PUQDRGIFSA-N	-4	0	849.643	-0.369	50	30		KBEARL
CC(C)=CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P@](=O)([O-])O[P@](=O)([O-])OC[C@@H]1O[C@H](n2cnc3c2ncnc3N)[C@H](O)[C@H]1OP(=O)([O-])[O-]	ZINC000255965909	572304359	/nfs/dbraw/zinc/30/43/59/572304359.db2.gz	BXIPALATIYNHJN-UZXVFQFNSA-N	-4	0	849.643	-0.369	50	30		KBEARL
CC(C)=CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P@](=O)([O-])O[P@](=O)([O-])OC[C@@H]1O[C@H](n2cnc3c2ncnc3N)[C@@H](O)[C@@H]1OP(=O)([O-])[O-]	ZINC000255965910	572304333	/nfs/dbraw/zinc/30/43/33/572304333.db2.gz	BXIPALATIYNHJN-XDPCYSMHSA-N	-4	0	849.643	-0.369	50	30		KBEARL
CC(C)=CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P@](=O)([O-])O[P@](=O)([O-])OC[C@@H]1O[C@H](n2cnc3c2ncnc3N)[C@@H](O)[C@H]1OP(=O)([O-])[O-]	ZINC000255965911	572304327	/nfs/dbraw/zinc/30/43/27/572304327.db2.gz	BXIPALATIYNHJN-YDPDSYDBSA-N	-4	0	849.643	-0.369	50	30		KBEARL
C/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P@](=O)([O-])O[P@](=O)([O-])OC[C@@H]1O[C@H](n2cnc3c2ncnc3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]	ZINC000255982930	572304639	/nfs/dbraw/zinc/30/46/39/572304639.db2.gz	KFWWCMJSYSSPSK-MFEQVKDISA-N	-4	0	835.616	-0.759	50	30		KBEARL
C/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P@](=O)([O-])O[P@](=O)([O-])OC[C@@H]1O[C@H](n2cnc3c2ncnc3N)[C@H](O)[C@H]1OP(=O)([O-])[O-]	ZINC000255982931	572304598	/nfs/dbraw/zinc/30/45/98/572304598.db2.gz	KFWWCMJSYSSPSK-PFWPZGCUSA-N	-4	0	835.616	-0.759	50	30		KBEARL
C/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P@](=O)([O-])O[P@](=O)([O-])OC[C@@H]1O[C@H](n2cnc3c2ncnc3N)[C@@H](O)[C@@H]1OP(=O)([O-])[O-]	ZINC000257355043	572321853	/nfs/dbraw/zinc/32/18/53/572321853.db2.gz	KFWWCMJSYSSPSK-ABIAKZBYSA-N	-4	0	835.616	-0.759	50	30		KBEARL
C/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P@](=O)([O-])O[P@](=O)([O-])OC[C@@H]1O[C@H](n2cnc3c2ncnc3N)[C@@H](O)[C@H]1OP(=O)([O-])[O-]	ZINC000257355044	572321844	/nfs/dbraw/zinc/32/18/44/572321844.db2.gz	KFWWCMJSYSSPSK-HWFOJCBVSA-N	-4	0	835.616	-0.759	50	30		KBEARL