smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(-c2ccc(CCC(=O)[O-])n2C(C)C)cc1	ZINC000000559546	169668395	/nfs/dbraw/zinc/66/83/95/169668395.db2.gz	OUINVCDTVSLHKU-UHFFFAOYSA-N	-1	0	271.360	4.062	40	10		CICBRM
O=C([O-])c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1	ZINC000004140504	566838699	/nfs/dbraw/zinc/83/86/99/566838699.db2.gz	UOJZJSJJYHNEDI-HFTRVMKXSA-N	-1	0	291.350	4.211	40	10		CICBRM
O=C1C=CC(=NNc2ccc(Br)cc2)C([O-])=C1	ZINC000018153861	567876419	/nfs/dbraw/zinc/87/64/19/567876419.db2.gz	JXDXGMHMDHIKCO-CCEZHUSRSA-N	-1	0	293.120	4.276	40	10		CICBRM
CC1=CC(=NNc2ccc(Cl)cc2)C=C(C(=O)[O-])C1=O	ZINC000070461941	566865352	/nfs/dbraw/zinc/86/53/52/566865352.db2.gz	CMHQGIGKLOOXJC-WUKNDPDISA-N	-1	0	290.706	4.468	40	10		CICBRM
Cc1cccc(NN=C2C=C(C)C(=O)C(C(=O)[O-])=C2)c1	ZINC000070461680	566865850	/nfs/dbraw/zinc/86/58/50/566865850.db2.gz	UOPUBFAUIJNVHG-WUKNDPDISA-N	-1	0	270.288	4.123	40	10		CICBRM
Cc1cc(C(=O)[O-])c(C)n1-c1ccc(Cl)c(Cl)c1	ZINC000019949389	567880195	/nfs/dbraw/zinc/88/01/95/567880195.db2.gz	QASDICFHHSZAOM-UHFFFAOYSA-N	-1	0	284.142	4.099	40	10		CICBRM
O=C([O-])c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1	ZINC000004140505	566838299	/nfs/dbraw/zinc/83/82/99/566838299.db2.gz	UOJZJSJJYHNEDI-LESCRADOSA-N	-1	0	291.350	4.211	40	10		CICBRM
Cc1cc(C)cc(NN=C2C=C(C)C(=O)C(C(=O)[O-])=C2)c1	ZINC000070461672	566866477	/nfs/dbraw/zinc/86/64/77/566866477.db2.gz	OEJKRFSRZQORIK-ISLYRVAYSA-N	-1	0	284.315	4.431	40	10		CICBRM
CC1=CC(=NNc2ccccc2Cl)C=C(C(=O)[O-])C1=O	ZINC000070461933	566865844	/nfs/dbraw/zinc/86/58/44/566865844.db2.gz	GJXMRVYCKODDRR-WUKNDPDISA-N	-1	0	290.706	4.468	40	10		CICBRM
O=C1C=CC(=NNc2ccc(Br)cc2)C([O-])=C1	ZINC000102533699	567915198	/nfs/dbraw/zinc/91/51/98/567915198.db2.gz	JXDXGMHMDHIKCO-PFONDFGASA-N	-1	0	293.120	4.276	40	10		CICBRM
Cc1cc(C)cc(NN=C2C=CC(=O)C(C(=O)[O-])=C2)c1	ZINC000070461636	566866164	/nfs/dbraw/zinc/86/61/64/566866164.db2.gz	MHQRVPIZXYDUHP-WUKNDPDISA-N	-1	0	270.288	4.123	40	10		CICBRM
CCn1c(-c2ccccc2)csc1=Nc1ccc(O)cc1	ZINC000001466275	567837774	/nfs/dbraw/zinc/83/77/74/567837774.db2.gz	YNZARILPIGCNMM-UHFFFAOYSA-O	-1	0	297.403	4.172	40	10		CICBRM
Cc1cc(C(=O)[O-])c(C)n1-c1ccc(Cl)cc1Cl	ZINC000019949381	567880204	/nfs/dbraw/zinc/88/02/04/567880204.db2.gz	FHHPKNQNAYNDTI-UHFFFAOYSA-N	-1	0	284.142	4.099	40	10		CICBRM
COc1ccc(NCc2cc(Cl)cc(Cl)c2[O-])cc1	ZINC000019964834	567945060	/nfs/dbraw/zinc/94/50/60/567945060.db2.gz	ZIEMFADKSTYQJC-UHFFFAOYSA-N	-1	0	298.169	4.320	40	10		CICBRM
[O-]c1c(Cl)cc(Cl)cc1CNc1ccccc1	ZINC000001681068	567841424	/nfs/dbraw/zinc/84/14/24/567841424.db2.gz	RPQIKHYWFFZVIZ-UHFFFAOYSA-N	-1	0	268.143	4.311	40	10		CICBRM
O=C([O-])c1ccccc1[C@@H]1Nc2ccccc2[C@@H]2C=CC[C@H]21	ZINC000409163780	567934442	/nfs/dbraw/zinc/93/44/42/567934442.db2.gz	XULBOKCAPBYSLI-WPKBUWHJSA-N	-1	0	291.350	4.211	40	10		CICBRM
Cc1ccc(NN=C2C=C(C)C(=O)C(C(=O)[O-])=C2)c(C)c1	ZINC000070461675	566866134	/nfs/dbraw/zinc/86/61/34/566866134.db2.gz	NRPYEXBFBGZCIK-ISLYRVAYSA-N	-1	0	284.315	4.431	40	10		CICBRM
CC1=CC(=O)C(=NNc2ccc(C(=O)[O-])cc2)C=C1C	ZINC000013543491	567866317	/nfs/dbraw/zinc/86/63/17/567866317.db2.gz	IRPMNRQJHGUWHK-MSUUIHNZSA-N	-1	0	270.288	4.123	40	10		CICBRM
O=C([O-])c1ccccc1[C@@H]1Nc2ccccc2[C@@H]2C=CC[C@@H]21	ZINC000409163781	567934436	/nfs/dbraw/zinc/93/44/36/567934436.db2.gz	XULBOKCAPBYSLI-XAYKYTGQSA-N	-1	0	291.350	4.211	40	10		CICBRM
Cc1ccc(NN=C2C=CC(=O)C(C(=O)[O-])=C2)cc1Cl	ZINC000070461945	566866047	/nfs/dbraw/zinc/86/60/47/566866047.db2.gz	XPHHGYYZISONHC-WUKNDPDISA-N	-1	0	290.706	4.468	40	10		CICBRM
Cc1cccc(C)c1NN=C1C=C(C)C(=O)C(C(=O)[O-])=C1	ZINC000070461677	566866223	/nfs/dbraw/zinc/86/62/23/566866223.db2.gz	XKZKQRXTCKSORT-ISLYRVAYSA-N	-1	0	284.315	4.431	40	10		CICBRM
Cc1ccc(NN=C2C=CC(=O)C(C(=O)[O-])=C2)c(C)c1	ZINC000070461631	566866256	/nfs/dbraw/zinc/86/62/56/566866256.db2.gz	QQSXFLQOXSNCCD-WUKNDPDISA-N	-1	0	270.288	4.123	40	10		CICBRM
Cc1ccc(-c2ccccc2)n1-c1ccc([N+](=O)[O-])cc1O	ZINC000408741186	567861047	/nfs/dbraw/zinc/86/10/47/567861047.db2.gz	HHQXNEVMQHEKDO-UHFFFAOYSA-N	-1	0	294.310	4.067	40	10		CICBRM
O=C([O-])CCc1ccc(-c2cccs2)n1-c1ccccc1	ZINC000009280353	170370035	/nfs/dbraw/zinc/37/00/35/170370035.db2.gz	IQWNCEGRVCIDES-UHFFFAOYSA-N	-1	0	297.379	4.223	40	10		CICBRM
Cc1cc(C(=O)[O-])c(C)n1-c1cccc(Cl)c1Cl	ZINC000021952103	171340152	/nfs/dbraw/zinc/34/01/52/171340152.db2.gz	IIWRMWMCQVAZKZ-UHFFFAOYSA-N	-1	0	284.142	4.099	40	10		CICBRM
Cc1cc(C(=O)[O-])c(C)n1-c1cc(Cl)ccc1Cl	ZINC000040162403	174196923	/nfs/dbraw/zinc/19/69/23/174196923.db2.gz	XPTUDLUPEATSEJ-UHFFFAOYSA-N	-1	0	284.142	4.099	40	10		CICBRM
CC1=CC(=NNc2cccc(Cl)c2)C=C(C(=O)[O-])C1=O	ZINC000070461937	566865691	/nfs/dbraw/zinc/86/56/91/566865691.db2.gz	MBDFUAZWAKHDMS-WUKNDPDISA-N	-1	0	290.706	4.468	40	10		CICBRM
Cc1c(Cl)cccc1NN=C1C=CC(=O)C(C(=O)[O-])=C1	ZINC000070461944	566866254	/nfs/dbraw/zinc/86/62/54/566866254.db2.gz	SZMDHNLYIJDDGB-WUKNDPDISA-N	-1	0	290.706	4.468	40	10		CICBRM
O=C([O-])C1=CC(=NNc2cccc(Cl)c2)C=CC1=O	ZINC000070461938	566866378	/nfs/dbraw/zinc/86/63/78/566866378.db2.gz	GYDBARFGXMDGGP-FOCLMDBBSA-N	-1	0	276.679	4.159	40	10		CICBRM
O=C([O-])C1=CC(=NNc2ccccc2Cl)C=CC1=O	ZINC000070461934	566865415	/nfs/dbraw/zinc/86/54/15/566865415.db2.gz	IYQYKYVRHIFUJM-FOCLMDBBSA-N	-1	0	276.679	4.159	40	10		CICBRM
Cc1cccc(NN=C2C=C(C)C(=O)C(C(=O)[O-])=C2)c1C	ZINC000070461674	566865971	/nfs/dbraw/zinc/86/59/71/566865971.db2.gz	CKVHDDMBQSYMEF-ISLYRVAYSA-N	-1	0	284.315	4.431	40	10		CICBRM
CCCCN(CCCC)c1ccc(/C=C/C(=O)[O-])cc1	ZINC000020527166	171240130	/nfs/dbraw/zinc/24/01/30/171240130.db2.gz	FXPJWIAFXDTBQM-FMIVXFBMSA-N	-1	0	275.392	4.191	40	10		CICBRM
Cc1ccc(C)c(NN=C2C=C(C)C(=O)C(C(=O)[O-])=C2)c1	ZINC000070461676	175943307	/nfs/dbraw/zinc/94/33/07/175943307.db2.gz	DUEYCAOOHKGSOL-ISLYRVAYSA-N	-1	0	284.315	4.431	40	10		CICBRM
Cc1cc(Cl)ccc1NN=C1C=CC(=O)C(C(=O)[O-])=C1	ZINC000070461948	566864809	/nfs/dbraw/zinc/86/48/09/566864809.db2.gz	CTIJWJIUCKJOPA-WUKNDPDISA-N	-1	0	290.706	4.468	40	10		CICBRM
Cc1cccc(NN=C2C=CC(=O)C(C(=O)[O-])=C2)c1C	ZINC000070461632	566866692	/nfs/dbraw/zinc/86/66/92/566866692.db2.gz	PTKMIIDFKLVPJU-WUKNDPDISA-N	-1	0	270.288	4.123	40	10		CICBRM
O=C([O-])C1=CC(=NNc2ccc(Cl)cc2)C=CC1=O	ZINC000005785507	170140259	/nfs/dbraw/zinc/14/02/59/170140259.db2.gz	ZCRDPWZTENZVQN-FOCLMDBBSA-N	-1	0	276.679	4.159	40	10		CICBRM
O=C([O-])CCc1ccc(-c2ccccc2)n1-c1ccccc1	ZINC000005939379	170159410	/nfs/dbraw/zinc/15/94/10/170159410.db2.gz	PVMYGMCAVCLSOQ-UHFFFAOYSA-N	-1	0	291.350	4.162	40	10		CICBRM
Cc1ccc(NN=C2C=CC(=O)C(C(=O)[O-])=C2)cc1C	ZINC000070461635	566865176	/nfs/dbraw/zinc/86/51/76/566865176.db2.gz	LDPUQJGODFUOMC-WUKNDPDISA-N	-1	0	270.288	4.123	40	10		CICBRM
Cc1ccccc1NN=C1C=C(C)C(=O)C(C(=O)[O-])=C1	ZINC000070461678	566866170	/nfs/dbraw/zinc/86/61/70/566866170.db2.gz	QREPNMIOJUQQJJ-WUKNDPDISA-N	-1	0	270.288	4.123	40	10		CICBRM
O=C([O-])c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1	ZINC000002578387	230367310	/nfs/dbraw/zinc/36/73/10/230367310.db2.gz	UOJZJSJJYHNEDI-KYJSFNMBSA-N	-1	0	291.350	4.211	40	10		CICBRM
Cc1ccc(/N=N/c2ccc(CC(=O)[O-])cc2)cc1	ZINC000004742444	170009603	/nfs/dbraw/zinc/00/96/03/170009603.db2.gz	YMSZSAHXGJYWBS-WUKNDPDISA-N	-1	0	254.289	4.038	40	10		CICBRM
Cc1ccc(-c2ccccc2)n1-c1cccc(C(=O)[O-])c1C	ZINC000008413451	170335758	/nfs/dbraw/zinc/33/57/58/170335758.db2.gz	ZNYATKLCMFUFEY-UHFFFAOYSA-N	-1	0	291.350	4.459	40	10		CICBRM
Cc1ccc(NN=C2C=C(C)C(=O)C(C(=O)[O-])=C2)cc1	ZINC000070461681	566865497	/nfs/dbraw/zinc/86/54/97/566865497.db2.gz	ZAZLFDYVCPCDDL-WUKNDPDISA-N	-1	0	270.288	4.123	40	10		CICBRM
Cc1ccc(NN=C2C=C(C)C(=O)C(C(=O)[O-])=C2)cc1C	ZINC000070461673	566866228	/nfs/dbraw/zinc/86/62/28/566866228.db2.gz	ZNEWRJZHGACGQN-ISLYRVAYSA-N	-1	0	284.315	4.431	40	10		CICBRM
CCc1ccc(/N=N/c2ccc(C(=O)[O-])cc2)cc1	ZINC000004896185	170037267	/nfs/dbraw/zinc/03/72/67/170037267.db2.gz	YYXIZUNZQXHJHF-WUKNDPDISA-N	-1	0	254.289	4.363	40	10		CICBRM
CCc1ccc(/N=N/c2ccc(CC(=O)[O-])cc2)cc1	ZINC000004896184	170037540	/nfs/dbraw/zinc/03/75/40/170037540.db2.gz	OWWGSXLTWVZPDN-ISLYRVAYSA-N	-1	0	268.316	4.292	40	10		CICBRM
Cc1ccc(C)c(NN=C2C=CC(=O)C(C(=O)[O-])=C2)c1	ZINC000070461633	175943283	/nfs/dbraw/zinc/94/32/83/175943283.db2.gz	XFXDZLDGWDXMLY-WUKNDPDISA-N	-1	0	270.288	4.123	40	10		CICBRM
Cc1cccc(C)c1NN=C1C=CC(=O)C(C(=O)[O-])=C1	ZINC000070461634	566866006	/nfs/dbraw/zinc/86/60/06/566866006.db2.gz	JXEABZONWLXTES-WUKNDPDISA-N	-1	0	270.288	4.123	40	10		CICBRM