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[N+](C)(C)c1ccc(O)cc1	13586874	166124415	/nfs/dbraw/zinc/12/44/15/166124415.db2.gz	QJTLYIDDIYBSBP-UHFFFAOYSA-O	1	0	192.282	2.535	1	30		AFEFRO
C=C(C)C[N+](C)(C)c1ccccc1O	3198018	166125014	/nfs/dbraw/zinc/12/50/14/166125014.db2.gz	YPKLWXADZUBNNC-UHFFFAOYSA-O	1	0	192.282	2.535	1	30		AFEFRO
C=C(C)C[N+](C)(C)c1cccc(O)c1	3198015	166125508	/nfs/dbraw/zinc/12/55/08/166125508.db2.gz	YSZLXUXTOGPYQX-UHFFFAOYSA-O	1	0	192.282	2.535	1	30		AFEFRO
C=C1C(C)(C)[C@@H]2CC[C@@]1([NH2+]CC)C2	27518937	166144082	/nfs/dbraw/zinc/14/40/82/166144082.db2.gz	XNHUWXDBHVPNDP-ZYHUDNBSSA-N	1	0	179.307	2.731	1	30		AFEFRO
C=C1[C@@H]2CC[C@@]([NH2+]CC)(C2)C1(C)C	3813930	166150337	/nfs/dbraw/zinc/15/03/37/166150337.db2.gz	PMFXKOHVDZVHFJ-ZYHUDNBSSA-N	1	0	179.307	2.731	1	30		AFEFRO
C=CCC[N+](C)(C)c1ccccc1O	3197824	166170496	/nfs/dbraw/zinc/17/04/96/166170496.db2.gz	QILAXHQPGTWYMO-UHFFFAOYSA-O	1	0	192.282	2.535	1	30		AFEFRO
C=CC[N@@H+](C)[C@H](C)Cc1ccccc1	12504460	166172095	/nfs/dbraw/zinc/17/20/95/166172095.db2.gz	BVYBGDRWIWQPOV-GFCCVEGCSA-N	1	0	189.302	2.735	1	30	in-vivo	AFEFRO
C=CC[n+]1ccc(-c2ccccc2)cc1	26850960	166206158	/nfs/dbraw/zinc/20/61/58/166206158.db2.gz	IDYOQPWWVMSJAL-UHFFFAOYSA-N	1	0	196.273	2.827	1	30		AFEFRO
C[C@H]1CC[P@+](C)(c2ccccc2)C1	73389067	168626449	/nfs/dbraw/zinc/62/64/49/168626449.db2.gz	WVIYENADEFCUIN-AAEUAGOBSA-N	1	0	193.250	2.999	1	30		AFEFRO
CCCCCCCCCC(=O)C[N+]#N	43676723	171089247	/nfs/dbraw/zinc/08/92/47/171089247.db2.gz	RCDRHRJSTDWNEY-UHFFFAOYSA-N	1	0	196.294	2.997	1	30		AFEFRO
C=C(C)[C@@H](C)N(O)c1cc(C)ccn1	73156888	171194740	/nfs/dbraw/zinc/19/47/40/171194740.db2.gz	SYEYMWDNAQECHI-SNVBAGLBSA-N	1	0	192.262	2.550	1	30		AFEFRO
C=C(C)[C@@H](C)N(O)c1cccc(C)n1	73141948	171194880	/nfs/dbraw/zinc/19/48/80/171194880.db2.gz	UNENTKVJNFDYSK-SNVBAGLBSA-N	1	0	192.262	2.550	1	30		AFEFRO
C=C(C)[C@@H](C)N(O)c1ncccc1C	73156896	171195316	/nfs/dbraw/zinc/19/53/16/171195316.db2.gz	VEGGAAGSOCLRHU-SNVBAGLBSA-N	1	0	192.262	2.550	1	30		AFEFRO
C=C(C[n+]1ccccc1)c1ccccc1	13521789	171206637	/nfs/dbraw/zinc/20/66/37/171206637.db2.gz	PWIHWAVCRQUVFQ-UHFFFAOYSA-N	1	0	196.273	2.688	1	30		AFEFRO
CCCCCC#CC[N+]1(C)CCCC1	66097716	717132373	/nfs/dbraw/zinc/13/23/73/717132373.db2.gz	VXUTVYGHMGZSBO-UHFFFAOYSA-N	1	0	194.342	2.811	1	30		AFEFRO
CCCCCCC[n+]1ccccc1	43009724	571878282	/nfs/dbraw/zinc/87/82/82/571878282.db2.gz	BOFYFGANDNPXEM-UHFFFAOYSA-N	1	0	178.299	2.945	1	30		AFEFRO