smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)Cc1cc2c(cc1O)CC[C@@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@H]21	ZINC000008615413	563633344	/nfs/dbraw/zinc/63/33/44/563633344.db2.gz	YNMRNQIMMPMNCA-STHPQGGCSA-N	0	3	327.468	3.879	40	10		EHCBHN
CN(C)Cc1cc2c(cc1O)CC[C@@H]1[C@@H]3CCC(=O)[C@]3(C)CC[C@@H]21	ZINC000033916351	202271406	/nfs/dbraw/zinc/27/14/06/202271406.db2.gz	YNMRNQIMMPMNCA-JIYIMXKPSA-N	0	3	327.468	3.879	40	10		EHCBHN
C[C@H](NC(=O)CC1CCN(C)CC1)c1ccc(N2CCCCC2)cc1	ZINC000216904467	241220913	/nfs/dbraw/zinc/22/09/13/241220913.db2.gz	ADTQVXDHWDSDIE-KRWDZBQOSA-N	0	3	343.515	3.586	40	10		EHCBHN
CCOc1ccc([O-])c(C[NH+]2CCC(O)(c3ccc(C)cc3)CC2)c1	ZINC000012344533	563658591	/nfs/dbraw/zinc/65/85/91/563658591.db2.gz	JGYUZLJBBOGNPW-UHFFFAOYSA-N	0	3	341.451	3.583	40	10		EHCBHN
CCOc1ccc(O)c(CN2CCC(O)(c3ccc(C)cc3)CC2)c1	ZINC000012344533	563658592	/nfs/dbraw/zinc/65/85/92/563658592.db2.gz	JGYUZLJBBOGNPW-UHFFFAOYSA-N	0	3	341.451	3.583	40	10		EHCBHN
CC(=O)N(Cc1ccccc1)c1ccc([O-])c(C[NH+]2CCCCC2)c1	ZINC000001690390	563403948	/nfs/dbraw/zinc/40/39/48/563403948.db2.gz	AFRDADICTHPMDT-UHFFFAOYSA-N	0	3	338.451	3.931	40	10		EHCBHN
COc1ccc(O)c(CN(Cc2ccccc2)C[C@H]2CCCO2)c1	ZINC000013993304	201056813	/nfs/dbraw/zinc/05/68/13/201056813.db2.gz	MZXYCYOTIUBLTD-LJQANCHMSA-N	0	3	327.424	3.582	40	10		EHCBHN
C[C@@H](NC(=O)CC1CCN(C)CC1)c1ccc(N2CCCCC2)cc1	ZINC000216904433	241219321	/nfs/dbraw/zinc/21/93/21/241219321.db2.gz	ADTQVXDHWDSDIE-QGZVFWFLSA-N	0	3	343.515	3.586	40	10		EHCBHN
CN(C)Cc1cc2c(cc1O)CC[C@@H]1[C@@H]3CCC(=O)[C@]3(C)CC[C@H]21	ZINC000008615412	563633311	/nfs/dbraw/zinc/63/33/11/563633311.db2.gz	YNMRNQIMMPMNCA-ROWPZFDLSA-N	0	3	327.468	3.879	40	10		EHCBHN
Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2ccccc2[O-])o1	ZINC000043277746	563925512	/nfs/dbraw/zinc/92/55/12/563925512.db2.gz	FPZKZKHCMIDEFG-UHFFFAOYSA-N	0	3	325.412	3.583	40	10		EHCBHN
Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2ccccc2[O-])o1	ZINC000043277746	563925514	/nfs/dbraw/zinc/92/55/14/563925514.db2.gz	FPZKZKHCMIDEFG-UHFFFAOYSA-N	0	3	325.412	3.583	40	10		EHCBHN
COc1ccc(CNC2(c3ccccc3)CC2)cc1Cn1cccn1	ZINC000012361864	211355825	/nfs/dbraw/zinc/35/58/25/211355825.db2.gz	CHVNUHMOVZDICW-UHFFFAOYSA-N	0	3	333.435	3.719	40	10		EHCBHN
CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2Cc2cc(C)no2)c1[O-]	ZINC000012366536	211357504	/nfs/dbraw/zinc/35/75/04/211357504.db2.gz	UZOCDWCIAZMTKX-WMLDXEAASA-N	0	3	330.428	3.588	40	10		EHCBHN
Oc1cc2c(cc1[C@@H](c1ccc(F)cc1)N1CCCCC1)OCO2	ZINC000001586977	563394700	/nfs/dbraw/zinc/39/47/00/563394700.db2.gz	YMCLEFJCNNJAEA-LJQANCHMSA-N	0	3	329.371	3.835	40	10		EHCBHN
COc1ccc2[nH]c3cc(Cl)ccc3c(=NN3CCOCC3)c2c1	ZINC000255187792	244046437	/nfs/dbraw/zinc/04/64/37/244046437.db2.gz	GUKLNQGOXOGWJT-UHFFFAOYSA-N	0	3	343.814	3.709	40	10		EHCBHN
O[C@]1(c2ccccc2)CCN(Cc2ccc(N3CCCC3)c(F)c2)C1	ZINC000012241270	211328620	/nfs/dbraw/zinc/32/86/20/211328620.db2.gz	QLWAQEKGPVBMCK-OAQYLSRUSA-N	0	3	340.442	3.519	40	10		EHCBHN
Oc1cc2c(cc1[C@H](c1ccc(F)cc1)N1CCCCC1)OCO2	ZINC000006512627	563570766	/nfs/dbraw/zinc/57/07/66/563570766.db2.gz	YMCLEFJCNNJAEA-IBGZPJMESA-N	0	3	329.371	3.835	40	10		EHCBHN
O[C@@]1(c2ccccc2)CCN(Cc2ccc(N3CCCC3)c(F)c2)C1	ZINC000012241266	211328170	/nfs/dbraw/zinc/32/81/70/211328170.db2.gz	QLWAQEKGPVBMCK-NRFANRHFSA-N	0	3	340.442	3.519	40	10		EHCBHN
COc1ccc(O)c(CN(Cc2ccccc2)C[C@@H]2CCCO2)c1	ZINC000013993301	564087296	/nfs/dbraw/zinc/08/72/96/564087296.db2.gz	MZXYCYOTIUBLTD-IBGZPJMESA-N	0	3	327.424	3.582	40	10		EHCBHN
Cc1ccc(-c2nnc([C@H]3CC[N@H+](Cc4ccccc4[O-])C3)o2)cc1	ZINC000049169950	564032652	/nfs/dbraw/zinc/03/26/52/564032652.db2.gz	CRPPNSPMBPZWFD-KRWDZBQOSA-N	0	3	335.407	3.740	40	10	biogenic,in-vitro	EHCBHN
Cc1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4ccccc4[O-])C3)o2)cc1	ZINC000049169950	564032653	/nfs/dbraw/zinc/03/26/53/564032653.db2.gz	CRPPNSPMBPZWFD-KRWDZBQOSA-N	0	3	335.407	3.740	40	10	biogenic,in-vitro	EHCBHN
COCCNCc1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C	ZINC000223675032	564040614	/nfs/dbraw/zinc/04/06/14/564040614.db2.gz	FMVDTGLJVQHQTA-UHFFFAOYSA-N	0	3	326.362	3.849	40	10		EHCBHN
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccncc3)c2C)SC1=S	ZINC000033775822	564129681	/nfs/dbraw/zinc/12/96/81/564129681.db2.gz	RCFBFIOKPHETTJ-GDNBJRDFSA-N	0	3	343.477	3.710	40	10		EHCBHN
CN(C)Cc1cc2c(cc1O)CC[C@@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]21	ZINC000033916352	568415076	/nfs/dbraw/zinc/41/50/76/568415076.db2.gz	YNMRNQIMMPMNCA-JQZBISMTSA-N	0	3	327.468	3.879	40	10		EHCBHN