smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCS(=O)(=O)Nc1cc(-c2ccccc2)ccc1O	ZINC000005259954	563524488	/nfs/dbraw/zinc/52/44/88/563524488.db2.gz	ITMHNOLMYFSGMZ-UHFFFAOYSA-N	-2	0	333.453	4.381	40	0		EIABRL
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@@H]1CC=C[C@H]21	ZINC000006965709	564126482	/nfs/dbraw/zinc/12/64/82/564126482.db2.gz	GMCAGEWRVQBZGN-QMTMVMCOSA-N	-2	0	349.386	4.218	40	0		EIABRL
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccccc1C(=O)[O-])[C@@H]1CC=C[C@H]21	ZINC000006965733	564126485	/nfs/dbraw/zinc/12/64/85/564126485.db2.gz	BIMXXFCRUQIDSI-QUJCMNEKSA-N	-2	0	349.386	4.218	40	0		EIABRL
C[C@@]1(C(=O)[O-])CCC[C@]2(C)[C@H]1CC[C@]13C[C@@H](C(=O)[O-])[C@H](C1)CC[C@@H]32	ZINC000049601521	204434205	/nfs/dbraw/zinc/43/42/05/204434205.db2.gz	HITLMPHPGUZLGI-NWYRNHEKSA-N	-2	0	334.456	4.185	40	0	biogenic,in-vitro	EIABRL
Cc1c(C(=O)[O-])ccc2c1N[C@H](c1ccccc1C(=O)[O-])[C@H]1CC=C[C@H]21	ZINC000006960306	564126367	/nfs/dbraw/zinc/12/63/67/564126367.db2.gz	SNRXUMQDFGYXDI-NJSLBKSFSA-N	-2	0	349.386	4.218	40	0		EIABRL
CC(C)CCn1c2ccc(C(=O)[O-])cc2c2cc(C(=O)[O-])ccc21	ZINC000073634137	202370325	/nfs/dbraw/zinc/37/03/25/202370325.db2.gz	MNTQILFUBMCZJX-UHFFFAOYSA-N	-2	0	325.364	4.237	40	0		EIABRL
O=C([O-])c1cc2sc(-c3ccc(Cl)cc3)nc2c(C(=O)[O-])c1	ZINC000073635655	216404053	/nfs/dbraw/zinc/40/40/53/216404053.db2.gz	CBEHPGMZBVOOMF-UHFFFAOYSA-N	-2	0	333.752	4.013	40	0		EIABRL
C[C@@]1(C(=O)[O-])CCC[C@@]2(C)[C@H]1CC[C@]13C[C@@H](C(=O)[O-])[C@H](C1)CC[C@@H]32	ZINC000049601523	214021313	/nfs/dbraw/zinc/02/13/13/214021313.db2.gz	HITLMPHPGUZLGI-NACYMBDTSA-N	-2	0	334.456	4.185	40	0	biogenic,in-vitro	EIABRL
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@H]21	ZINC000006965667	564126493	/nfs/dbraw/zinc/12/64/93/564126493.db2.gz	GMCAGEWRVQBZGN-YZVOILCLSA-N	-2	0	349.386	4.218	40	0		EIABRL
O=C([O-])CCCCc1ccc(CCCCC(=O)[O-])c2ccccc12	ZINC000001767582	209791119	/nfs/dbraw/zinc/79/11/19/209791119.db2.gz	SDWSCQAOXYYSOV-UHFFFAOYSA-N	-2	0	328.408	4.435	40	0		EIABRL
O=C([O-])[C@H](c1ccc(Cl)cc1)[C@H](C(=O)[O-])c1ccc(Cl)cc1	ZINC000001668805	563401430	/nfs/dbraw/zinc/40/14/30/563401430.db2.gz	BVOHKJFRQYBQQY-ZIAGYGMSSA-N	-2	0	339.174	4.030	40	0		EIABRL
O=C([O-])[C@@H](c1ccc(Cl)cc1)[C@H](C(=O)[O-])c1ccc(Cl)cc1	ZINC000001668804	563401401	/nfs/dbraw/zinc/40/14/01/563401401.db2.gz	BVOHKJFRQYBQQY-OKILXGFUSA-N	-2	0	339.174	4.030	40	0		EIABRL
C[C@]1(C(=O)[O-])CCC[C@]2(C)[C@H]1CC[C@]13C[C@@H](C(=O)[O-])[C@H](C1)CC[C@@H]32	ZINC000049601524	214020801	/nfs/dbraw/zinc/02/08/01/214020801.db2.gz	HITLMPHPGUZLGI-MOQGAEFSSA-N	-2	0	334.456	4.185	40	0	biogenic,in-vitro	EIABRL
S=C([S-])N(c1ccccc1)N(C(=S)[S-])c1ccccc1	ZINC000001669767	563401649	/nfs/dbraw/zinc/40/16/49/563401649.db2.gz	MKYDNZADXHTJGI-UHFFFAOYSA-N	-2	0	336.532	4.344	40	0		EIABRL
O=C([O-])[C@@H](c1ccc(Cl)cc1)[C@@H](C(=O)[O-])c1ccc(Cl)cc1	ZINC000001668806	563401377	/nfs/dbraw/zinc/40/13/77/563401377.db2.gz	BVOHKJFRQYBQQY-KBPBESRZSA-N	-2	0	339.174	4.030	40	0		EIABRL
C[C@]12CCC[C@](C)(C(=O)[O-])[C@@H]1CC[C@]13C[C@@H](C(=O)[O-])[C@H](C1)CC[C@@H]32	ZINC000049601525	214021422	/nfs/dbraw/zinc/02/14/22/214021422.db2.gz	HITLMPHPGUZLGI-JWXRWZCYSA-N	-2	0	334.456	4.185	40	0	biogenic,in-vitro	EIABRL
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccccc1C(=O)[O-])[C@H]1CC=C[C@H]21	ZINC000006965691	564126479	/nfs/dbraw/zinc/12/64/79/564126479.db2.gz	BIMXXFCRUQIDSI-JMERFSKESA-N	-2	0	349.386	4.218	40	0		EIABRL
Cc1ccccc1C(c1ccccc1C)C(CC(=O)[O-])CC(=O)[O-]	ZINC000001601993	563395751	/nfs/dbraw/zinc/39/57/51/563395751.db2.gz	UTXJBHLWUVZUDU-UHFFFAOYSA-N	-2	0	326.392	4.001	40	0		EIABRL
Cc1c(C(=O)[O-])ccc2c1N[C@H](c1ccccc1C(=O)[O-])[C@@H]1CC=C[C@H]21	ZINC000006960435	564126407	/nfs/dbraw/zinc/12/64/07/564126407.db2.gz	SNRXUMQDFGYXDI-KSMMKXTCSA-N	-2	0	349.386	4.218	40	0		EIABRL