smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC)C(=[NH2+])NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(OC)cc1	ZINC000253370521	474728392	/nfs/dbraw/zinc/72/83/92/474728392.db2.gz	RXQYSLUVPJWVFR-AEFFLSMTSA-N	2	0	332.492	2.735	40	30		EFEBRP
C[C@H](C[NH+](C)C)C(=O)C(=Cc1ccccc1)C(=O)[C@@H](C)C[NH+](C)C	ZINC000001587251	471393727	/nfs/dbraw/zinc/39/37/27/471393727.db2.gz	YUCPANIBZSZJSW-IYBDPMFKSA-N	2	0	330.472	2.604	40	30		EFEBRP
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+]CCc4c[nH]cn4)[C@H]3C[C@H]12	ZINC000003984920	210097418	/nfs/dbraw/zinc/09/74/18/210097418.db2.gz	LIPXWZPIPQPEAZ-HGJKNBTDSA-N	2	0	343.471	2.856	40	30	biogenic	EFEBRP
N#Cc1cccc(C[NH+]2CCC3(CC([NH+]4CCOCC4)C3)CC2)c1	ZINC000096159231	473318585	/nfs/dbraw/zinc/31/85/85/473318585.db2.gz	CFFXGZSNXZUARO-UHFFFAOYSA-N	2	0	325.456	2.635	40	30		EFEBRP
CN(C(=[NH2+])NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CC1	ZINC000252478965	474665689	/nfs/dbraw/zinc/66/56/89/474665689.db2.gz	AYDOUNSSBPBCRP-LRDDRELGSA-N	2	0	338.858	2.881	40	30		EFEBRP
CC[NH+](CC)Cc1cnc2n1CC[N@@H+](Cc1cccc(C#N)c1)CC2	ZINC000096196827	473332732	/nfs/dbraw/zinc/33/27/32/473332732.db2.gz	FWXXKQURVZRANS-UHFFFAOYSA-N	2	0	337.471	2.655	40	30		EFEBRP
C[C@H](C[NH+](C)C)C(=O)C(=Cc1ccccc1)C(=O)[C@H](C)C[NH+](C)C	ZINC000001587253	471393424	/nfs/dbraw/zinc/39/34/24/471393424.db2.gz	YUCPANIBZSZJSW-HZPDHXFCSA-N	2	0	330.472	2.604	40	30		EFEBRP
CCN(CC)C(=[NH2+])NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(OC)cc1	ZINC000097227331	472483362	/nfs/dbraw/zinc/48/33/62/472483362.db2.gz	RXQYSLUVPJWVFR-FUHWJXTLSA-N	2	0	332.492	2.735	40	30		EFEBRP
CN(C(=[NH2+])NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CC1	ZINC000252478966	474666041	/nfs/dbraw/zinc/66/60/41/474666041.db2.gz	AYDOUNSSBPBCRP-MLGOLLRUSA-N	2	0	338.858	2.881	40	30		EFEBRP
CC(C)[N@H+](C)C[C@H]1OC[C@@H]2CC[NH+](Cc3cccc(C#N)c3)C[C@@H]21	ZINC000096185407	473327773	/nfs/dbraw/zinc/32/77/73/473327773.db2.gz	FQHAVMYAIIIKLO-SLFFLAALSA-N	2	0	327.472	2.735	40	30		EFEBRP
CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2cccc(C#N)c2)CC1	ZINC000040120183	521689225	/nfs/dbraw/zinc/68/92/25/521689225.db2.gz	IWLIHPFZVCASQT-UHFFFAOYSA-N	2	0	348.494	2.986	40	30		EFEBRP
N#Cc1cccc(C[N@H+]2CCc3ncc(C[NH+]4CCCCC4)n3CC2)c1	ZINC000096196884	473332985	/nfs/dbraw/zinc/33/29/85/473332985.db2.gz	UGWWJTCDZPIFMW-UHFFFAOYSA-N	2	0	349.482	2.799	40	30		EFEBRP
C[C@@H](C[NH+](C)C)C(=O)C(=Cc1ccccc1)C(=O)[C@@H](C)C[NH+](C)C	ZINC000001587250	471393446	/nfs/dbraw/zinc/39/34/46/471393446.db2.gz	YUCPANIBZSZJSW-HOTGVXAUSA-N	2	0	330.472	2.604	40	30		EFEBRP
C[NH+](C)CCC(=O)C(=C/C=C\c1ccccc1)C(=O)CC[NH+](C)C	ZINC000017129977	471957242	/nfs/dbraw/zinc/95/72/42/471957242.db2.gz	NHDZBIGUKSFVIF-FLIBITNWSA-N	2	0	328.456	2.668	40	30		EFEBRP
C=C(C)C[NH+]1CCC(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1	ZINC000106257509	472835244	/nfs/dbraw/zinc/83/52/44/472835244.db2.gz	OBGFSEVMBWURGT-UHFFFAOYSA-N	2	0	336.524	2.635	40	30		EFEBRP
CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](Cc1cccc(C#N)c1)CC2	ZINC000096196843	473332881	/nfs/dbraw/zinc/33/28/81/473332881.db2.gz	VAMZWQBFTMAPHW-UHFFFAOYSA-N	2	0	337.471	2.653	40	30		EFEBRP
C=CC[N@@H+]1Cc2ccccc2C2(CC[NH+](Cc3cnn(C)c3)CC2)C1	ZINC000096079536	473291477	/nfs/dbraw/zinc/29/14/77/473291477.db2.gz	ADVXUKJMCWAOBZ-UHFFFAOYSA-N	2	0	336.483	2.956	40	30		EFEBRP
C[NH+](C)CCC(=O)C(=Cc1ccccc1Cl)C(=O)CC[NH+](C)C	ZINC000001589110	471393529	/nfs/dbraw/zinc/39/35/29/471393529.db2.gz	PCYUAYXLLBERJA-UHFFFAOYSA-N	2	0	336.863	2.765	40	30		EFEBRP
C[NH+](C)CCC(=O)C(=C/C=C/c1ccccc1)C(=O)CC[NH+](C)C	ZINC000001579762	471393973	/nfs/dbraw/zinc/39/39/73/471393973.db2.gz	NHDZBIGUKSFVIF-DHZHZOJOSA-N	2	0	328.456	2.668	40	30		EFEBRP
CN(C(=[NH2+])NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CC1	ZINC000252478964	474665286	/nfs/dbraw/zinc/66/52/86/474665286.db2.gz	AYDOUNSSBPBCRP-BLLLJJGKSA-N	2	0	338.858	2.881	40	30		EFEBRP
CCN(CC)C(=[NH2+])NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(OC)cc1	ZINC000253370522	474727507	/nfs/dbraw/zinc/72/75/07/474727507.db2.gz	RXQYSLUVPJWVFR-WMZOPIPTSA-N	2	0	332.492	2.735	40	30		EFEBRP
CCN(CC)C(=[NH2+])NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(OC)cc1	ZINC000097227333	472483696	/nfs/dbraw/zinc/48/36/96/472483696.db2.gz	RXQYSLUVPJWVFR-SJLPKXTDSA-N	2	0	332.492	2.735	40	30		EFEBRP
CN(C(=[NH2+])NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CC1	ZINC000252478967	474666394	/nfs/dbraw/zinc/66/63/94/474666394.db2.gz	AYDOUNSSBPBCRP-WBMJQRKESA-N	2	0	338.858	2.881	40	30		EFEBRP