smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(NCc2cc(Cl)ccc2[O-])ccc1F	ZINC000044836124	175262835	/nfs/dbraw/zinc/26/28/35/175262835.db2.gz	PNQHUCDSXMNNFF-UHFFFAOYSA-N	-1	3	265.715	4.105	50	10		CICAHM
CCOc1ccccc1NCc1cc(Cl)ccc1[O-]	ZINC000019903953	567879695	/nfs/dbraw/zinc/87/96/95/567879695.db2.gz	DNXBAWZHFMISJS-UHFFFAOYSA-N	-1	3	277.751	4.056	50	10		CICAHM
[O-]c1ccc(Cl)cc1CNc1ccc(Cl)cc1	ZINC000019921209	567880129	/nfs/dbraw/zinc/88/01/29/567880129.db2.gz	JNUAWXOGKPXOSE-UHFFFAOYSA-N	-1	3	268.143	4.311	50	10		CICAHM
COc1ccc(N[C@@H](C)c2cc(Cl)ccc2[O-])cc1	ZINC000000617732	567887758	/nfs/dbraw/zinc/88/77/58/567887758.db2.gz	YIHPEXVAQUNNMG-JTQLQIEISA-N	-1	3	277.751	4.227	50	10		CICAHM
[O-]c1cccc(Cl)c1CNc1ccc(Cl)cc1	ZINC000097229161	567906022	/nfs/dbraw/zinc/90/60/22/567906022.db2.gz	NMFPYAQDJCJEHK-UHFFFAOYSA-N	-1	3	268.143	4.311	50	10		CICAHM
Cc1ccc(NCc2cc(Cl)ccc2[O-])c(F)c1	ZINC000020371704	171168202	/nfs/dbraw/zinc/16/82/02/171168202.db2.gz	FUEORLJVMNBUTR-UHFFFAOYSA-N	-1	3	265.715	4.105	50	10		CICAHM
CSc1cccc(NCc2cc(Cl)ccc2[O-])c1	ZINC000019900625	567879642	/nfs/dbraw/zinc/87/96/42/567879642.db2.gz	GUVQWPSCICFUCO-UHFFFAOYSA-N	-1	3	279.792	4.380	50	10		CICAHM
Cc1ccc(NCc2cc(Cl)ccc2[O-])cc1C	ZINC000000732354	567834577	/nfs/dbraw/zinc/83/45/77/567834577.db2.gz	CAIFALUYBJQVHA-UHFFFAOYSA-N	-1	3	261.752	4.275	50	10		CICAHM
[O-]c1ccc(Cl)cc1CNc1ccc2c(c1)CCC2	ZINC000019913904	567879845	/nfs/dbraw/zinc/87/98/45/567879845.db2.gz	KDQIUEPVCPOERE-UHFFFAOYSA-N	-1	3	273.763	4.146	50	10		CICAHM
CCc1cccc(NCc2cc(Cl)ccc2[O-])c1	ZINC000019962232	567879979	/nfs/dbraw/zinc/87/99/79/567879979.db2.gz	ADOQOGCFNAEUNL-UHFFFAOYSA-N	-1	3	261.752	4.220	50	10		CICAHM
[O-]c1ccc2ccccc2c1CN1CCc2ccccc21	ZINC000001460895	566893257	/nfs/dbraw/zinc/89/32/57/566893257.db2.gz	MBZGHFQCPPKJFC-UHFFFAOYSA-N	-1	3	275.351	4.108	50	10		CICAHM
[O-]c1ccc(Cl)cc1CNc1cc(F)ccc1Cl	ZINC000040477083	174283093	/nfs/dbraw/zinc/28/30/93/174283093.db2.gz	CZMBPZDRSLLMCU-UHFFFAOYSA-N	-1	3	286.133	4.450	50	10		CICAHM
CSc1ccc(NCc2cc(Cl)ccc2[O-])cc1	ZINC000019906427	567879760	/nfs/dbraw/zinc/87/97/60/567879760.db2.gz	OBMIULWDQATLJK-UHFFFAOYSA-N	-1	3	279.792	4.380	50	10		CICAHM
Cc1c(F)cccc1NCc1cc(Cl)ccc1[O-]	ZINC000040477087	174282998	/nfs/dbraw/zinc/28/29/98/174282998.db2.gz	RJXVUMQYOFEDTB-UHFFFAOYSA-N	-1	3	265.715	4.105	50	10		CICAHM
COc1ccc(Cl)cc1NCc1cc(Cl)ccc1[O-]	ZINC000019914197	567879746	/nfs/dbraw/zinc/87/97/46/567879746.db2.gz	KIDOUXZIUUDWLV-UHFFFAOYSA-N	-1	3	298.169	4.320	50	10		CICAHM
[O-]c1ccc(Cl)cc1CNc1ccccc1Cl	ZINC000019942688	567880164	/nfs/dbraw/zinc/88/01/64/567880164.db2.gz	RFUFBBMZAXGWAJ-UHFFFAOYSA-N	-1	3	268.143	4.311	50	10		CICAHM
Cc1cc(F)ccc1NCc1cc(Cl)ccc1[O-]	ZINC000019961326	567879927	/nfs/dbraw/zinc/87/99/27/567879927.db2.gz	MYBPRVSGEHQXMP-UHFFFAOYSA-N	-1	3	265.715	4.105	50	10		CICAHM
Cc1ccc(C)c(NCc2cc(Cl)ccc2[O-])c1	ZINC000019964647	567880131	/nfs/dbraw/zinc/88/01/31/567880131.db2.gz	GQWPDAHDRCIXSC-UHFFFAOYSA-N	-1	3	261.752	4.275	50	10		CICAHM
CN(C)c1ccc(/C=C/c2ccnc3c([O-])cccc23)cc1	ZINC000006375065	170195767	/nfs/dbraw/zinc/19/57/67/170195767.db2.gz	OSSROFZTGSSYNR-RMKNXTFCSA-N	-1	3	290.366	4.177	50	10		CICAHM
CCc1ccc(NCc2cc(Cl)ccc2[O-])cc1	ZINC000019955417	170941306	/nfs/dbraw/zinc/94/13/06/170941306.db2.gz	XHQPEECAVYFPPZ-UHFFFAOYSA-N	-1	3	261.752	4.220	50	10		CICAHM
Cc1cccc(C)c1NCc1cc(Cl)ccc1[O-]	ZINC000044836117	175262732	/nfs/dbraw/zinc/26/27/32/175262732.db2.gz	JDKGRKRLXPNXJZ-UHFFFAOYSA-N	-1	3	261.752	4.275	50	10		CICAHM
CN1c2ccccc2N(C)C1c1c([O-])ccc2ccccc21	ZINC000000349161	567826186	/nfs/dbraw/zinc/82/61/86/567826186.db2.gz	ZHBMMEKUBSEKAJ-UHFFFAOYSA-N	-1	3	290.366	4.130	50	10		CICAHM
COc1ccccc1N[C@@H](C)c1cc(Cl)ccc1[O-]	ZINC000000617390	567834481	/nfs/dbraw/zinc/83/44/81/567834481.db2.gz	YGNPXVTUXMRGJZ-JTQLQIEISA-N	-1	3	277.751	4.227	50	10		CICAHM
COc1ccc(NCc2cc(Cl)ccc2[O-])cc1Cl	ZINC000019903568	567879469	/nfs/dbraw/zinc/87/94/69/567879469.db2.gz	ZARYCADWVLCWSN-UHFFFAOYSA-N	-1	3	298.169	4.320	50	10		CICAHM
Cc1ccc(NCc2cc(Cl)ccc2[O-])c(C)c1	ZINC000019877483	567879526	/nfs/dbraw/zinc/87/95/26/567879526.db2.gz	DVBNHHPQGSKRLG-UHFFFAOYSA-N	-1	3	261.752	4.275	50	10		CICAHM
Cc1ccc(NCc2c([O-])ccc3ccccc32)cc1	ZINC000000367571	567884073	/nfs/dbraw/zinc/88/40/73/567884073.db2.gz	PMRWGFDHZKQGJG-UHFFFAOYSA-N	-1	3	263.340	4.466	50	10		CICAHM
Cc1ccc(F)c(NCc2cc(Cl)ccc2[O-])c1	ZINC000020471696	171214410	/nfs/dbraw/zinc/21/44/10/171214410.db2.gz	BJPKGUPURDWBMR-UHFFFAOYSA-N	-1	3	265.715	4.105	50	10		CICAHM
[O-]c1ccc(Cl)cc1CNc1ccc(F)cc1Cl	ZINC000020594967	171263804	/nfs/dbraw/zinc/26/38/04/171263804.db2.gz	SUNGKMWYPQZGFT-UHFFFAOYSA-N	-1	3	286.133	4.450	50	10		CICAHM
[O-]c1ccc(Cl)cc1CNc1cccc(Cl)c1	ZINC000019920425	567880271	/nfs/dbraw/zinc/88/02/71/567880271.db2.gz	ZYSYZZULNWHLNE-UHFFFAOYSA-N	-1	3	268.143	4.311	50	10		CICAHM
[O-]c1ccc(Cl)cc1CNc1cnc2ccccc2c1	ZINC000000553490	169667245	/nfs/dbraw/zinc/66/72/45/169667245.db2.gz	KUVUGVOAAMTNLU-UHFFFAOYSA-N	-1	3	284.746	4.206	50	10		CICAHM
Cc1cc(C)cc(NCc2cc(Cl)ccc2[O-])c1	ZINC000019952925	567880255	/nfs/dbraw/zinc/88/02/55/567880255.db2.gz	SGGKBOAPFJINHS-UHFFFAOYSA-N	-1	3	261.752	4.275	50	10		CICAHM
Cc1ccc(F)cc1NCc1cc(Cl)ccc1[O-]	ZINC000019953587	567879943	/nfs/dbraw/zinc/87/99/43/567879943.db2.gz	AYRYFVITVNWGAI-UHFFFAOYSA-N	-1	3	265.715	4.105	50	10		CICAHM
[O-]c1ccc(Cl)cc1CNc1cccc2cccnc21	ZINC000000553570	570287730	/nfs/dbraw/zinc/28/77/30/570287730.db2.gz	MLBCNCYGCAFPAD-UHFFFAOYSA-N	-1	3	284.746	4.206	50	10		CICAHM
CCOc1ccc(NCc2cc(Cl)ccc2[O-])cc1	ZINC000019902345	567879496	/nfs/dbraw/zinc/87/94/96/567879496.db2.gz	NAVMCBBDONTUEW-UHFFFAOYSA-N	-1	3	277.751	4.056	50	10		CICAHM
Cc1ccc(NCc2cc(Cl)ccc2[O-])cc1F	ZINC000019956064	567880222	/nfs/dbraw/zinc/88/02/22/567880222.db2.gz	PTLJXZJCXNUQAZ-UHFFFAOYSA-N	-1	3	265.715	4.105	50	10		CICAHM
COc1ccc(N[C@H](C)c2cc(Cl)ccc2[O-])cc1	ZINC000000617733	567887783	/nfs/dbraw/zinc/88/77/83/567887783.db2.gz	YIHPEXVAQUNNMG-SNVBAGLBSA-N	-1	3	277.751	4.227	50	10		CICAHM
COc1ccccc1N[C@H](C)c1cc(Cl)ccc1[O-]	ZINC000002842758	260010391	/nfs/dbraw/zinc/01/03/91/260010391.db2.gz	YGNPXVTUXMRGJZ-SNVBAGLBSA-N	-1	3	277.751	4.227	50	10		CICAHM
[O-]c1ccc(Cl)cc1CNc1ccc(F)c(Cl)c1	ZINC000000732350	567834561	/nfs/dbraw/zinc/83/45/61/567834561.db2.gz	UGZFYGNBUVMRBU-UHFFFAOYSA-N	-1	3	286.133	4.450	50	10		CICAHM