smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN1CCN(C(=O)[C@@H](C)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)CC1	ZINC000159425711	243200819	/nfs/dbraw/zinc/20/08/19/243200819.db2.gz	DGSOJORREPIZIG-NVXWUHKLSA-N	0	3	365.522	-0.047	20	70		FBIDHN
CCN1CCN(C(=O)[C@H](C)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)CC1	ZINC000159425868	535635494	/nfs/dbraw/zinc/63/54/94/535635494.db2.gz	DGSOJORREPIZIG-DOTOQJQBSA-N	0	3	365.522	-0.047	20	70		FBIDHN
CN(C)[C@@H](CNC(=O)CN1CCn2c(nn(C)c2=O)C1)c1ccccc1	ZINC000160171482	243202136	/nfs/dbraw/zinc/20/21/36/243202136.db2.gz	PNWVBXDUMVDQIJ-HNNXBMFYSA-N	0	3	358.446	-0.184	20	70		FBIDHN
CN(C)[C@H](CNC(=O)CN1CCn2c(nn(C)c2=O)C1)c1ccccc1	ZINC000160171635	243198312	/nfs/dbraw/zinc/19/83/12/243198312.db2.gz	PNWVBXDUMVDQIJ-OAHLLOKOSA-N	0	3	358.446	-0.184	20	70		FBIDHN
C[C@H](O)C(=O)N1CCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)CC1	ZINC000160183942	243201847	/nfs/dbraw/zinc/20/18/47/243201847.db2.gz	PPMJSPQKZYZVHM-RDJZCZTQSA-N	0	3	362.474	-0.070	20	70		FBIDHN
C[C@@H](O)C(=O)N1CCN(CC(=O)NC[C@@H](c2ccccc2)N(C)C)CC1	ZINC000160184092	243199511	/nfs/dbraw/zinc/19/95/11/243199511.db2.gz	PPMJSPQKZYZVHM-WBVHZDCISA-N	0	3	362.474	-0.070	20	70		FBIDHN
C[C@H](O)C(=O)N1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)CC1	ZINC000160184229	243201816	/nfs/dbraw/zinc/20/18/16/243201816.db2.gz	PPMJSPQKZYZVHM-DOTOQJQBSA-N	0	3	362.474	-0.070	20	70		FBIDHN
C[C@@H](O)C(=O)N1CCN(CC(=O)NC[C@H](c2ccccc2)N(C)C)CC1	ZINC000160184354	243202120	/nfs/dbraw/zinc/20/21/20/243202120.db2.gz	PPMJSPQKZYZVHM-NVXWUHKLSA-N	0	3	362.474	-0.070	20	70		FBIDHN
C[C@@H](C(=O)N(C)CC(=O)NC[C@H](O)CN1CCCCC1)n1cccn1	ZINC000160193648	484335552	/nfs/dbraw/zinc/33/55/52/484335552.db2.gz	LAWCBDZOUVRECL-GJZGRUSLSA-N	0	3	351.451	-0.135	20	70		FBIDHN
C[C@H](C(=O)N(C)CC(=O)NC[C@H](O)CN1CCCCC1)n1cccn1	ZINC000160193787	484335571	/nfs/dbraw/zinc/33/55/71/484335571.db2.gz	LAWCBDZOUVRECL-CABCVRRESA-N	0	3	351.451	-0.135	20	70		FBIDHN
CN(C)S(=O)(=O)c1cc(C(=O)NCCCN2CCN(C)CC2)co1	ZINC000160193849	243199974	/nfs/dbraw/zinc/19/99/74/243199974.db2.gz	WQRUIKOQCOVTCG-UHFFFAOYSA-N	0	3	358.464	-0.103	20	70		FBIDHN
C[C@@H](C(=O)N(C)CC(=O)NC[C@@H](O)CN1CCCCC1)n1cccn1	ZINC000160193858	484334478	/nfs/dbraw/zinc/33/44/78/484334478.db2.gz	LAWCBDZOUVRECL-LSDHHAIUSA-N	0	3	351.451	-0.135	20	70		FBIDHN
C[C@H](C(=O)N(C)CC(=O)NC[C@@H](O)CN1CCCCC1)n1cccn1	ZINC000160193998	484335053	/nfs/dbraw/zinc/33/50/53/484335053.db2.gz	LAWCBDZOUVRECL-HUUCEWRRSA-N	0	3	351.451	-0.135	20	70		FBIDHN
O=C(Cn1nc2n(c1=O)CCCCC2)NC[C@H](O)CN1CCCCC1	ZINC000160272524	243200953	/nfs/dbraw/zinc/20/09/53/243200953.db2.gz	CYQUTEHHHGNUSB-AWEZNQCLSA-N	0	3	351.451	-0.266	20	70		FBIDHN
O=C(Cn1nc2n(c1=O)CCCCC2)NC[C@@H](O)CN1CCCCC1	ZINC000160272640	243198636	/nfs/dbraw/zinc/19/86/36/243198636.db2.gz	CYQUTEHHHGNUSB-CQSZACIVSA-N	0	3	351.451	-0.266	20	70		FBIDHN
COCc1nc2n(n1)C[C@H](NC(=O)N(CCN(C)C)CCN(C)C)CC2	ZINC000160556344	484246059	/nfs/dbraw/zinc/24/60/59/484246059.db2.gz	KLMCYISPUONZCR-CQSZACIVSA-N	0	3	367.498	-0.126	20	70		FBIDHN
COCc1nc2n(n1)C[C@@H](NC(=O)N(CCN(C)C)CCN(C)C)CC2	ZINC000160556455	484245901	/nfs/dbraw/zinc/24/59/01/484245901.db2.gz	KLMCYISPUONZCR-AWEZNQCLSA-N	0	3	367.498	-0.126	20	70		FBIDHN
O=C(CCn1c(=O)[nH]c(=O)c2ccccc21)NCC1CCN(CCO)CC1	ZINC000160649211	484258542	/nfs/dbraw/zinc/25/85/42/484258542.db2.gz	FZTOVZYFQUNQBN-UHFFFAOYSA-N	0	3	374.441	-0.100	20	70		FBIDHN
CC[NH2+]CC1CCN(C(=O)C[N-]S(=O)(=O)c2cn(C)c(C)n2)CC1	ZINC000161107072	483957217	/nfs/dbraw/zinc/95/72/17/483957217.db2.gz	PQCQTFQKZSDPOM-UHFFFAOYSA-N	0	3	357.480	-0.145	20	70		FBIDHN
O=c1[nH]c2ccc(S(=O)(=O)NCC3CCN(CCO)CC3)cc2[nH]1	ZINC000161400148	484133084	/nfs/dbraw/zinc/13/30/84/484133084.db2.gz	CBIRDIXKZNFMQV-UHFFFAOYSA-N	0	3	354.432	-0.161	20	70		FBIDHN
OCCN1CCN(Cc2ccc(CN3CCN(CCO)CC3)cc2)CC1	ZINC000217779127	483859596	/nfs/dbraw/zinc/85/95/96/483859596.db2.gz	ZXNWMFQONICKMU-UHFFFAOYSA-N	0	3	362.518	-0.094	20	70		FBIDHN