smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#C/C(=C\c1cccs1)C(=O)[O-]	101212	956860276	/nfs/dbraw/zinc/86/02/76/956860276.db2.gz	QYGBYAQGBVHMDD-GQCTYLIASA-N	-1	0	179.200	1.740	50	50	in-vitro	ADGARM
N#C/C(=C/c1cccs1)C(=O)[O-]	101215	956860682	/nfs/dbraw/zinc/86/06/82/956860682.db2.gz	QYGBYAQGBVHMDD-XQRVVYSFSA-N	-1	0	179.200	1.740	50	50		ADGARM
N#C/C(=C\c1ccccc1)C(=O)[O-]	84158	956860808	/nfs/dbraw/zinc/86/08/08/956860808.db2.gz	CDUQMGQIHYISOP-RMKNXTFCSA-N	-1	0	173.171	1.678	50	50	in-vitro	ADGARM
N#C/C(=C\c1ccc(O)cc1)C(=O)[O-]	155109	956861217	/nfs/dbraw/zinc/86/12/17/956861217.db2.gz	AFVLVVWMAFSXCK-VMPITWQZSA-N	-1	0	189.170	1.384	50	50	in-vitro	ADGARM
N#C/C(=C/c1ccccc1)C(=O)[O-]	84159	956861229	/nfs/dbraw/zinc/86/12/29/956861229.db2.gz	CDUQMGQIHYISOP-TWGQIWQCSA-N	-1	0	173.171	1.678	50	50		ADGARM
N#C/C(=C\c1ccc(F)cc1)C(=O)[O-]	1625445	956864037	/nfs/dbraw/zinc/86/40/37/956864037.db2.gz	OBZAFMILNGLRAL-VMPITWQZSA-N	-1	0	191.161	1.817	50	50		ADGARM
N#C/C(=C\c1ccccc1F)C(=O)[O-]	1625446	956864522	/nfs/dbraw/zinc/86/45/22/956864522.db2.gz	DESWKKYKBFHUTI-VMPITWQZSA-N	-1	0	191.161	1.817	50	50		ADGARM
N#C/C(=C/c1ccco1)C(=O)[O-]	1670905	956864817	/nfs/dbraw/zinc/86/48/17/956864817.db2.gz	ZQEYJNCEFQYAPJ-XQRVVYSFSA-N	-1	0	163.132	1.271	50	50		ADGARM
N#C/C(=C\c1ccco1)C(=O)[O-]	2043254	956865035	/nfs/dbraw/zinc/86/50/35/956865035.db2.gz	ZQEYJNCEFQYAPJ-GQCTYLIASA-N	-1	0	163.132	1.271	50	50	in-vitro	ADGARM
N#C/C(=C\c1cccnc1)C(=O)[O-]	2582762	956867288	/nfs/dbraw/zinc/86/72/88/956867288.db2.gz	SJDCYAGLGBTHKD-XBXARRHUSA-N	-1	0	174.159	1.073	50	50	in-vitro	ADGARM
N#C/C(=C/c1ccc(O)cc1)C(=O)[O-]	3871479	956868818	/nfs/dbraw/zinc/86/88/18/956868818.db2.gz	AFVLVVWMAFSXCK-YVMONPNESA-N	-1	0	189.170	1.384	50	50		ADGARM
N#C/C(=C/c1ccc(F)cc1)C(=O)[O-]	3342651	956868856	/nfs/dbraw/zinc/86/88/56/956868856.db2.gz	OBZAFMILNGLRAL-YVMONPNESA-N	-1	0	191.161	1.817	50	50	in-vitro	ADGARM
Cc1ccc(/C=C(/C#N)C(=O)[O-])o1	6846574	956878671	/nfs/dbraw/zinc/87/86/71/956878671.db2.gz	VFJTWGABPSXWPG-DAXSKMNVSA-N	-1	0	177.159	1.580	50	50		ADGARM
N#C/C(=C/c1ccoc1)C(=O)[O-]	62103252	957599832	/nfs/dbraw/zinc/59/98/32/957599832.db2.gz	QSMBMDUBGAVDIF-CLTKARDFSA-N	-1	0	163.132	1.271	50	50		ADGARM
N#C/C(=C\c1ccoc1)C(=O)[O-]	84618071	957872373	/nfs/dbraw/zinc/87/23/73/957872373.db2.gz	QSMBMDUBGAVDIF-XVNBXDOJSA-N	-1	0	163.132	1.271	50	50		ADGARM
N#C/C(=C\c1nccs1)C(=O)[O-]	161404639	959182212	/nfs/dbraw/zinc/18/22/12/959182212.db2.gz	JAHDBRAKMOMJIV-HWKANZROSA-N	-1	0	180.188	1.135	50	50		ADGARM
N#C/C(=C\c1cncs1)C(=O)[O-]	228129759	959987480	/nfs/dbraw/zinc/98/74/80/959987480.db2.gz	SOTSJYLMOAUIJQ-ORCRQEGFSA-N	-1	0	180.188	1.135	50	50		ADGARM