smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCOc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1Br	ZINC000053064455	568927642	/nfs/dbraw/zinc/92/76/42/568927642.db2.gz	FVEJAWAYUVZEOL-UHFFFAOYSA-N	2	1	415.375	4.768	50	30		HJEAMP
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+]C4CC[NH+](Cc5ccccc5)CC4)[C@H]3C[C@H]12	ZINC000004085581	568940322	/nfs/dbraw/zinc/94/03/22/568940322.db2.gz	GDJDLJZOZZIHSK-CXTGUETESA-N	2	1	422.613	4.555	50	30	biogenic	HJEAMP
Cc1ccccc1CC[NH+]1CCC[C@H](C[N@H+](C)Cc2ccc(C#CC(C)(C)O)cc2)C1	ZINC000012837035	568997105	/nfs/dbraw/zinc/99/71/05/568997105.db2.gz	AOMCREBPJCHWFK-AREMUKBSSA-N	2	1	418.625	4.504	50	30		HJEAMP
Cc1ccccc1CC[N@H+]1CCC[C@H](C[NH+](C)Cc2ccc(C#CC(C)(C)O)cc2)C1	ZINC000012837035	568997107	/nfs/dbraw/zinc/99/71/07/568997107.db2.gz	AOMCREBPJCHWFK-AREMUKBSSA-N	2	1	418.625	4.504	50	30		HJEAMP
Cc1ccccc1CC[N@@H+]1CCC[C@H](C[NH+](C)Cc2ccc(C#CC(C)(C)O)cc2)C1	ZINC000012837035	568997109	/nfs/dbraw/zinc/99/71/09/568997109.db2.gz	AOMCREBPJCHWFK-AREMUKBSSA-N	2	1	418.625	4.504	50	30		HJEAMP
Cc1ccccc1CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2ccc(C#CC(C)(C)O)cc2)C1	ZINC000012837033	568997198	/nfs/dbraw/zinc/99/71/98/568997198.db2.gz	AOMCREBPJCHWFK-SANMLTNESA-N	2	1	418.625	4.504	50	30		HJEAMP
Cc1ccccc1CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(C#CC(C)(C)O)cc2)C1	ZINC000012837033	568997202	/nfs/dbraw/zinc/99/72/02/568997202.db2.gz	AOMCREBPJCHWFK-SANMLTNESA-N	2	1	418.625	4.504	50	30		HJEAMP
Cc1ccccc1CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2ccc(C#CC(C)(C)O)cc2)C1	ZINC000012837033	568997204	/nfs/dbraw/zinc/99/72/04/568997204.db2.gz	AOMCREBPJCHWFK-SANMLTNESA-N	2	1	418.625	4.504	50	30		HJEAMP
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+]C4CC[NH+](Cc5ccccc5)CC4)[C@H]3C[C@@H]12	ZINC000012884607	569404396	/nfs/dbraw/zinc/40/43/96/569404396.db2.gz	GDJDLJZOZZIHSK-SRFJDDQZSA-N	2	1	422.613	4.555	50	30	biogenic	HJEAMP
CCN(CC)c1ccc(/C=[NH+]/N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1	ZINC000019773146	558280592	/nfs/dbraw/zinc/28/05/92/558280592.db2.gz	CGOZYZJNAFZUEZ-NHFJDJAPSA-N	2	1	400.570	4.838	50	30		HJEAMP
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+]C4CC[NH+](Cc5ccccc5)CC4)[C@H]3C[C@@H]12	ZINC000004085580	568940294	/nfs/dbraw/zinc/94/02/94/568940294.db2.gz	GDJDLJZOZZIHSK-ZANOAUCBSA-N	2	1	422.613	4.555	50	30	biogenic	HJEAMP
Cc1c(C[N@H+]2CCCC23CCN(c2cc(C)[nH+]c4ccccc42)CC3)cc(C#N)n1C	ZINC000072463061	569384198	/nfs/dbraw/zinc/38/41/98/569384198.db2.gz	DGRTWHRICBHAAF-UHFFFAOYSA-N	2	1	413.569	4.697	50	30		HJEAMP
CC[N@H+](Cc1ccc(C#CCCO)cc1)CC1CC[NH+](CCc2ccccc2C)CC1	ZINC000012719002	568996181	/nfs/dbraw/zinc/99/61/81/568996181.db2.gz	OYLFYWQOWCODPI-UHFFFAOYSA-N	2	1	418.625	4.506	50	30		HJEAMP
C=CCn1cc(C[N@@H+]2CCCC23CCN(c2cc(C)[nH+]c4ccccc42)CC3)cn1	ZINC000072407111	568920509	/nfs/dbraw/zinc/92/05/09/568920509.db2.gz	UUBCCDBZSYYSCV-UHFFFAOYSA-N	2	1	401.558	4.561	50	30		HJEAMP
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+]C4CC[NH+](Cc5ccccc5)CC4)[C@H]3C[C@H]12	ZINC000012884614	569404468	/nfs/dbraw/zinc/40/44/68/569404468.db2.gz	GDJDLJZOZZIHSK-VYXBAIFMSA-N	2	1	422.613	4.555	50	30	biogenic	HJEAMP