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@@H]1CCC[C@@H](C)[N+]1(C)[NH3+]	1564257	571775927	/nfs/dbraw/zinc/77/59/27/571775927.db2.gz	AYLKDTTYJCRWME-HTQZYQBOSA-N	2	0	143.254	1.268	40	5		ADBBRP
C[C@H]1CCC[C@H](C)[N+]1(C)[NH3+]	1564258	571775938	/nfs/dbraw/zinc/77/59/38/571775938.db2.gz	AYLKDTTYJCRWME-YUMQZZPRSA-N	2	0	143.254	1.268	40	5		ADBBRP
C[N+](C)(C)CC[NH+]1C[C@@H]2CC[C@H]2C1	1694701	342959657	/nfs/dbraw/zinc/95/96/57/342959657.db2.gz	ACRTVKJCDLGDPJ-QWRGUYRKSA-N	2	0	183.319	1.034	40	5		ADBBRP
C1CC[N+]2(C1)CC[N+]1(CCCC1)CC2	1646425	166094120	/nfs/dbraw/zinc/09/41/20/166094120.db2.gz	MUJATFRBSGQYJY-UHFFFAOYSA-N	2	0	196.338	1.221	40	5		ADBBRP
CCC[N+](C)([NH3+])CCC	1670598	167096438	/nfs/dbraw/zinc/09/64/38/167096438.db2.gz	QHZJVRGFDCHHRV-UHFFFAOYSA-N	2	0	131.243	1.127	40	5		ADBBRP
C[NH2+][C@@H]1CCCC[C@@H]1[N+](C)(C)C	5104890	168040207	/nfs/dbraw/zinc/04/02/07/168040207.db2.gz	DQJYWIGBEKBOOU-ZJUUUORDSA-N	2	0	171.308	1.223	40	5		ADBBRP
C[NH2+][C@@H]1CCCC[C@H]1[N+](C)(C)C	5104892	168041478	/nfs/dbraw/zinc/04/14/78/168041478.db2.gz	DQJYWIGBEKBOOU-NXEZZACHSA-N	2	0	171.308	1.223	40	5		ADBBRP
C[NH2+][C@H]1CCCC[C@@H]1[N+](C)(C)C	5104891	168055093	/nfs/dbraw/zinc/05/50/93/168055093.db2.gz	DQJYWIGBEKBOOU-UWVGGRQHSA-N	2	0	171.308	1.223	40	5		ADBBRP
C[NH2+][C@H]1CCCC[C@H]1[N+](C)(C)C	5104893	168057935	/nfs/dbraw/zinc/05/79/35/168057935.db2.gz	DQJYWIGBEKBOOU-VHSXEESVSA-N	2	0	171.308	1.223	40	5		ADBBRP
C[N+](C)(C)CCCCCC[NH3+]	1568901	342947871	/nfs/dbraw/zinc/94/78/71/342947871.db2.gz	AYKRTQRYOOEPDR-UHFFFAOYSA-N	2	0	159.297	1.212	40	5	in-vitro	ADBBRP
C[N+](C)(C)CC[N@H+]1C[C@H]2CC[C@H]2C1	1694699	342959692	/nfs/dbraw/zinc/95/96/92/342959692.db2.gz	ACRTVKJCDLGDPJ-PHIMTYICSA-N	2	0	183.319	1.034	40	5		ADBBRP
C[N+](C)(C)CC[NH+]1C[C@H]2CC[C@@H]2C1	1694700	342959697	/nfs/dbraw/zinc/95/96/97/342959697.db2.gz	ACRTVKJCDLGDPJ-GHMZBOCLSA-N	2	0	183.319	1.034	40	5		ADBBRP
C[n+]1cccc([C@H]2CCC[N+]2(C)C)c1	1718319	342961876	/nfs/dbraw/zinc/96/18/76/342961876.db2.gz	JOEQGJUIJYDQRN-GFCCVEGCSA-N	2	0	192.306	1.422	40	5		ADBBRP
C[n+]1cccc([C@@H]2CCC[N+]2(C)C)c1	1718320	342961940	/nfs/dbraw/zinc/96/19/40/342961940.db2.gz	JOEQGJUIJYDQRN-LBPRGKRZSA-N	2	0	192.306	1.422	40	5		ADBBRP
C[N+](C)(C)CCCC[N+](C)(C)C	1730253	342963032	/nfs/dbraw/zinc/96/30/32/342963032.db2.gz	LPIZAKLZXAWBCA-UHFFFAOYSA-N	2	0	174.332	1.179	40	5		ADBBRP
C[C@H]1CCC[C@@H](C)[N+]1(C)[NH3+]	17104962	343045937	/nfs/dbraw/zinc/04/59/37/343045937.db2.gz	AYLKDTTYJCRWME-JWHQNHQBSA-N	2	0	143.254	1.268	40	5		ADBBRP