smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc21	ZINC000002583341	520026355	/nfs/dbraw/zinc/02/63/55/520026355.db2.gz	GMYGVHWXEMTGNV-UHFFFAOYSA-O	1	0	299.482	5.159	1	30		CKEFRO
Cc1ccc(/C(Nc2ccccc2)=[NH+]\c2ccccc2)cc1	ZINC000005930872	170156919	/nfs/dbraw/zinc/15/69/19/170156919.db2.gz	TVXNPRYSZPCOMK-UHFFFAOYSA-N	1	0	286.378	5.185	1	30		CKEFRO
CCCCCCCCCCCCCC[N+](C)(C)CCC	ZINC000036177029	172496663	/nfs/dbraw/zinc/49/66/63/172496663.db2.gz	UOBWYWBNUXIGND-UHFFFAOYSA-N	1	0	284.552	6.174	1	30		CKEFRO
CCCCCCCCCCCCCC[N+](C)(C)CCCC	ZINC000036177043	717125214	/nfs/dbraw/zinc/12/52/14/717125214.db2.gz	KWVRYCVTRIVEIP-UHFFFAOYSA-N	1	0	298.579	6.564	1	30		CKEFRO
C#CCC[N+](C)(C)CCCCCCCCCCCC	ZINC000038158029	174135180	/nfs/dbraw/zinc/13/51/80/174135180.db2.gz	NCXUQOJGGUDJOC-UHFFFAOYSA-N	1	0	266.493	5.007	1	30		CKEFRO
CCCCCCCCCCCCCC[N+]1(C)CCCC1	ZINC000038158031	717125633	/nfs/dbraw/zinc/12/56/33/717125633.db2.gz	XUYMGEBETOURDE-UHFFFAOYSA-N	1	0	282.536	5.928	1	30		CKEFRO
CCCCCCCCCCCC[N+](C)(C)C(C)C=O	ZINC000038158033	174135375	/nfs/dbraw/zinc/13/53/75/174135375.db2.gz	SRWNMQDXTWTXIG-WUKNDPDISA-O	1	0	270.481	5.403	1	30		CKEFRO
C=CC[N+](C)(CC=C)CCCCCCCCCCCC	ZINC000038158035	174135058	/nfs/dbraw/zinc/13/50/58/174135058.db2.gz	XODGXHBUNWQYGF-UHFFFAOYSA-N	1	0	280.520	5.726	1	30		CKEFRO
C=C[C@]1(C)CC[C@@H](C(=C)C[NH+](CC)CC)C[C@H]1C(=C)C	ZINC000040933922	174436623	/nfs/dbraw/zinc/43/66/23/174436623.db2.gz	SSLYKOZLNJMUCR-CEXWTWQISA-N	1	0	275.480	5.069	1	30		CKEFRO
CCCCCCCCCCCCCCCCNC(=[NH2+])NC	ZINC000044069549	519990749	/nfs/dbraw/zinc/99/07/49/519990749.db2.gz	RQKZQEVNVZYWQX-UHFFFAOYSA-N	1	0	297.531	5.002	1	30		CKEFRO
CCCCCCCCCCCCCC[C@H](O)C[NH2+]C(C)C	ZINC000059535906	520006883	/nfs/dbraw/zinc/00/68/83/520006883.db2.gz	SCNIDHYGFLYKBI-IBGZPJMESA-N	1	0	299.543	5.437	1	30		CKEFRO
CCCCCCCCCCn1c(N)[nH+]cc1-c1ccccc1	ZINC000066103934	520027598	/nfs/dbraw/zinc/02/75/98/520027598.db2.gz	ABNUDPKQACPYET-UHFFFAOYSA-N	1	0	299.462	5.273	1	30		CKEFRO
CCCCCCCCCC[n+]1ccn(C2CCCC2)c1	ZINC000072112600	176317508	/nfs/dbraw/zinc/31/75/08/176317508.db2.gz	CUBGEUGWDFMDIW-UHFFFAOYSA-N	1	0	277.476	5.031	1	30		CKEFRO
C[C@H]1CCC[P@@+](Cc2ccccc2)(c2ccccc2)CC1	ZINC000073259035	176463866	/nfs/dbraw/zinc/46/38/66/176463866.db2.gz	DSICDDPAKCYBEI-GHTZIAJQSA-N	1	0	297.402	5.350	1	30		CKEFRO
C[C@H]1CCC[P@+](Cc2ccccc2)(c2ccccc2)CC1	ZINC000073259038	176463904	/nfs/dbraw/zinc/46/39/04/176463904.db2.gz	DSICDDPAKCYBEI-RXVVDRJESA-N	1	0	297.402	5.350	1	30		CKEFRO
CCCCCCCC/C=C/c1c(C)cc2[n+](c1C)CCC2	ZINC000084711578	178918605	/nfs/dbraw/zinc/91/86/05/178918605.db2.gz	DXDFWADNZLVOHG-SDNWHVSQSA-N	1	0	286.483	5.301	1	30		CKEFRO
C=C(C)[C@@H]1CC[C@@]2(C)CC(C[NH2+]C3CCCC3)=CC(C)=C2C1	ZINC000085550214	290879991	/nfs/dbraw/zinc/87/99/91/290879991.db2.gz	IJNLEYBKTGEKCP-NQIIRXRSSA-N	1	0	299.502	5.548	1	30	biogenic,in-vitro	CKEFRO
CCCCCCCNc1c2ccccc2[nH+]c2ccccc21	ZINC000095859570	185029912	/nfs/dbraw/zinc/02/99/12/185029912.db2.gz	MOPIFNSMNXBREW-UHFFFAOYSA-N	1	0	292.426	5.770	1	30		CKEFRO
CC1(C)CC(=[NH+]Cc2ccccc2)Nc2ccc(Cl)cc21	ZINC000096908685	185127594	/nfs/dbraw/zinc/12/75/94/185127594.db2.gz	QXBSCGKGCGTVIP-UHFFFAOYSA-N	1	0	298.817	5.032	1	30		CKEFRO
CCCCCCC[N+]1=C(C)C(C)(C)c2ccccc21	ZINC000096928476	185131998	/nfs/dbraw/zinc/13/19/98/185131998.db2.gz	HEQCGZDBHDIKII-UHFFFAOYSA-N	1	0	258.429	5.053	1	30		CKEFRO
CCCCCCCCC[N+]1=C(C)C(C)(C)c2ccccc21	ZINC000096928477	185132540	/nfs/dbraw/zinc/13/25/40/185132540.db2.gz	PORBZHPPNZBXNG-UHFFFAOYSA-N	1	0	286.483	5.833	1	30		CKEFRO
CCCCCCCCC[n+]1c(C)sc2ccccc21	ZINC000096928482	185131950	/nfs/dbraw/zinc/13/19/50/185131950.db2.gz	VHIJPDTUGCOTML-UHFFFAOYSA-N	1	0	276.469	5.248	1	30		CKEFRO
CCCCCCCC[N+](C)(C)Cc1ccccc1Cl	ZINC000169332816	717155349	/nfs/dbraw/zinc/15/53/49/717155349.db2.gz	ZEIBRMQFVQIWOW-UHFFFAOYSA-N	1	0	282.879	5.277	1	30		CKEFRO
CCCCCCCC[N+](C)(C)Cc1ccc(Cl)cc1	ZINC000169332823	717155359	/nfs/dbraw/zinc/15/53/59/717155359.db2.gz	IDHYPIHTMDGPGC-UHFFFAOYSA-N	1	0	282.879	5.277	1	30		CKEFRO