smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#Cc1ccc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc1	ZINC000012209756	818146835	/nfs/dbraw/zinc/14/68/35/818146835.db2.gz	YKPOLFXJCYRULC-RUZDIDTESA-N	2	1	380.576	4.304	50	30		GIEAMP
CN(C)c1ccc(/C=[NH+]/N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc1	ZINC000019682381	571028202	/nfs/dbraw/zinc/02/82/02/571028202.db2.gz	RNIQDJHIYCOASO-ZXVVBBHZSA-N	2	1	396.538	4.474	50	30		GIEAMP
CCN(CC)c1ccc(/C=[NH+]/N2CC[NH+](Cc3ccc(C)cc3C)CC2)cc1	ZINC000020191121	570246551	/nfs/dbraw/zinc/24/65/51/570246551.db2.gz	SMDDHFTUQRDLKR-XIEYBQDHSA-N	2	1	378.564	4.301	50	30		GIEAMP
C#Cc1ccc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc1	ZINC000012209749	818146706	/nfs/dbraw/zinc/14/67/06/818146706.db2.gz	YKPOLFXJCYRULC-VWLOTQADSA-N	2	1	380.576	4.304	50	30		GIEAMP
C=C(C)CN(CC)C(=O)C1CC[NH+](C2CC[NH+](Cc3ccccc3C)CC2)CC1	ZINC000071278893	518591808	/nfs/dbraw/zinc/59/18/08/518591808.db2.gz	WQRWYMXEDSPUIZ-UHFFFAOYSA-N	2	1	397.607	4.096	50	30		GIEAMP
C=CCn1cc(C[NH+]2CCC3(CC2)C[C@@H](c2ccccc2)C[N@H+](CC)C3)cn1	ZINC000092003289	519277720	/nfs/dbraw/zinc/27/77/20/519277720.db2.gz	NAELDGQXDKGMQY-HSZRJFAPSA-N	2	1	378.564	4.161	50	30		GIEAMP
Cc1cc(=N)n(C(Nc2ccc(F)cc2)=[NH+]C2CC(C)(C)[NH2+]C(C)(C)C2)s1	ZINC000020344000	526099052	/nfs/dbraw/zinc/09/90/52/526099052.db2.gz	CUQFDAXCXOSIJB-UHFFFAOYSA-N	2	1	389.544	4.102	50	30		GIEAMP
C=CCn1cc(C[NH+]2CCC3(CC2)C[C@H](c2ccccc2)C[N@H+](CC)C3)cn1	ZINC000092003291	519277580	/nfs/dbraw/zinc/27/75/80/519277580.db2.gz	NAELDGQXDKGMQY-QHCPKHFHSA-N	2	1	378.564	4.161	50	30		GIEAMP
CN(C)c1ccc(/C=[NH+]/N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1	ZINC000019805792	522131972	/nfs/dbraw/zinc/13/19/72/522131972.db2.gz	KJVVUJXSGKSTKM-SZXQPVLSSA-N	2	1	398.554	4.494	50	30		GIEAMP
Cc1cc(N2CCC3(CCC[N@@H+]3Cc3cc(C#N)n(C)c3)CC2)c2ccccc2[nH+]1	ZINC000072439296	136170507	/nfs/dbraw/zinc/17/05/07/136170507.db2.gz	YCNKWVKXSFZSTO-UHFFFAOYSA-N	2	1	399.542	4.388	50	30		GIEAMP
Cc1ccc(C[NH+]2CCC(C[N@H+](C)Cc3ccc(C#CC(C)(C)O)cc3)CC2)o1	ZINC000012718895	524437451	/nfs/dbraw/zinc/43/74/51/524437451.db2.gz	FCUSYRUCYOSIFU-UHFFFAOYSA-N	2	1	394.559	4.054	50	30		GIEAMP
CN(C)c1ccc(C=[NH+]N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc1	ZINC000244795777	570433406	/nfs/dbraw/zinc/43/34/06/570433406.db2.gz	RNIQDJHIYCOASO-UHFFFAOYSA-N	2	1	396.538	4.474	50	30		GIEAMP
CCN(CCC#N)c1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c(C)c1	ZINC000058165456	570713575	/nfs/dbraw/zinc/71/35/75/570713575.db2.gz	FFWQPNKSUGFZOI-UHFFFAOYSA-N	2	1	390.575	4.489	50	30		GIEAMP
N#CC1(c2ccccc2)CCC([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CC1	ZINC000023732366	570370728	/nfs/dbraw/zinc/37/07/28/570370728.db2.gz	DYEMSLGDCUOVEU-UHFFFAOYSA-N	2	1	389.543	4.013	50	30		GIEAMP
C#Cc1ccc(C[N@H+](C)CC2CC[NH+](CCc3ccc(OC)cc3)CC2)cc1	ZINC000012583522	518358078	/nfs/dbraw/zinc/35/80/78/518358078.db2.gz	LYMPNKFMFOGLIT-UHFFFAOYSA-N	2	1	376.544	4.063	50	30		GIEAMP