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)C)C[N+](C)(C)C	13511543	166051877	/nfs/dbraw/zinc/05/18/77/166051877.db2.gz	VRRSHHAUEPCBKK-DHZHZOJOSA-N	2	0	186.343	1.345	50	5		ADBARP
C[N+]1([NH3+])Cc2ccccc2C1	1694680	171000762	/nfs/dbraw/zinc/00/07/62/171000762.db2.gz	QFWCEJBVXKVFJS-UHFFFAOYSA-N	2	0	149.217	1.021	50	5		ADBARP
C[N+](C)([NH3+])Cc1ccccc1	399040	229142199	/nfs/dbraw/zinc/14/21/99/229142199.db2.gz	MMSSKRCNXSULMI-UHFFFAOYSA-N	2	0	151.233	1.137	50	5		ADBARP
C[N+]1(CC[N+]2(C)CCCC2)CCCC1	1646426	342954241	/nfs/dbraw/zinc/95/42/41/342954241.db2.gz	OULVRQZVICMPCW-UHFFFAOYSA-N	2	0	198.354	1.467	50	5		ADBARP
C[N+](C)(C)CCCCC[N+](C)(C)C	1683094	342958060	/nfs/dbraw/zinc/95/80/60/342958060.db2.gz	XUSPWDAHGXSTHS-UHFFFAOYSA-N	2	0	188.359	1.569	50	5	in-man	ADBARP
C[NH+](C)[C@@H]1CCCC[C@@H]1[N+](C)(C)C	1744480	342963347	/nfs/dbraw/zinc/96/33/47/342963347.db2.gz	AJCHFTHMJBIOBH-MNOVXSKESA-N	2	0	185.335	1.565	50	5		ADBARP
C[NH+](C)[C@@H]1CCCC[C@H]1[N+](C)(C)C	1744477	342963426	/nfs/dbraw/zinc/96/34/26/342963426.db2.gz	AJCHFTHMJBIOBH-GHMZBOCLSA-N	2	0	185.335	1.565	50	5		ADBARP
C[NH+](C)[C@H]1CCCC[C@H]1[N+](C)(C)C	1744475	342963528	/nfs/dbraw/zinc/96/35/28/342963528.db2.gz	AJCHFTHMJBIOBH-WDEREUQCSA-N	2	0	185.335	1.565	50	5		ADBARP
C[NH+](C)[C@H]1CCCC[C@@H]1[N+](C)(C)C	1744478	342963555	/nfs/dbraw/zinc/96/35/55/342963555.db2.gz	AJCHFTHMJBIOBH-QWRGUYRKSA-N	2	0	185.335	1.565	50	5		ADBARP
CC[N+](C)(CC)CC[N+](C)(C)C	390834835	523633740	/nfs/dbraw/zinc/63/37/40/523633740.db2.gz	GHBUBDHFUCXFGW-UHFFFAOYSA-N	2	0	174.332	1.179	50	5		ADBARP
C[N+](C)(C)CCC[N+]1(C)CCCC1	390834874	525358504	/nfs/dbraw/zinc/35/85/04/525358504.db2.gz	KTHLNCICLQOLJK-UHFFFAOYSA-N	2	0	186.343	1.323	50	5		ADBARP