smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CCO[C@H]1C=C2CCN3Cc4cc5c(cc4[C@@H]([C@@H]23)[C@@H]1O)OCO5	ZINC000103268971	219280504	/nfs/dbraw/zinc/28/05/04/219280504.db2.gz	KYMHPLZWFOLZAR-INDMIFKZSA-N	0	3	325.364	1.406	1	30		EDEFHN
C=CCN1CC[C@]23c4c5c(O)ccc4C[C@H]1[C@]2(O)CC/C(=N\O)[C@@H]3O5	ZINC000029468021	202187663	/nfs/dbraw/zinc/18/76/63/202187663.db2.gz	HYVXNBHEYCFIRR-LDRQGVLPSA-N	0	3	342.395	1.563	1	30		EDEFHN
CC[C@H](C)[C@H](N)C(=O)N1CCCN1C(=O)Nc1cccc(C#N)c1	ZINC000028331298	202169209	/nfs/dbraw/zinc/16/92/09/202169209.db2.gz	MQEUHBNJFNHCSJ-WFASDCNBSA-N	0	3	329.404	1.913	1	30		EDEFHN
N=C(N)Nc1ncc(Cl)cc1C=CC(=O)NCc1ccccc1	ZINC000013436527	581097269	/nfs/dbraw/zinc/09/72/69/581097269.db2.gz	DPENFSJYAAZRAJ-VOTSOKGWSA-N	0	3	329.791	1.970	1	30		EDEFHN
COC(=O)c1ccc(CCNC(=N)Nc2nc(C)cc(C)n2)cc1	ZINC000028380738	202170292	/nfs/dbraw/zinc/17/02/92/202170292.db2.gz	QJGDMKPAWIAHST-UHFFFAOYSA-N	0	3	327.388	1.659	1	30		EDEFHN
C=C1[C@@H](O)[C@]23CC[C@@H]4[C@]56CC(=O)C[C@@]4(C)CN(C)[C@@H]5[C@H]2C(=O)[C@H]1C[C@H]36	ZINC000095910383	560058863	/nfs/dbraw/zinc/05/88/63/560058863.db2.gz	SZIAAQYFFVRAJG-NXKCSVIVSA-N	0	3	341.451	1.818	1	30	biogenic,in-vitro	EDEFHN
C=CCN1CC[C@@]23c4c5c(C(N)=O)ccc4C[C@@H]1[C@@H]2C=C[C@H](O)[C@H]3O5	ZINC000040394551	213297898	/nfs/dbraw/zinc/29/78/98/213297898.db2.gz	UHTVVDCKOSRQTI-LIHGBGNGSA-N	0	3	338.407	1.148	1	30		EDEFHN
COc1c2c(cc3c1CN1CC[C@]34[C@H]3O[C@H]3[C@H](OC)C[C@@H]14)OCO2	ZINC000033903740	560087824	/nfs/dbraw/zinc/08/78/24/560087824.db2.gz	XHXKHSUJQVCHTA-NWVCDLTISA-N	0	3	331.368	1.436	1	30	biogenic,in-vitro	EDEFHN
Cn1cnc2c(C#N)c(N3CCNCC3)n(Cc3ccccc3)c2c1=O	ZINC000073276155	216372862	/nfs/dbraw/zinc/37/28/62/216372862.db2.gz	FDUQJRBQYBRITF-UHFFFAOYSA-N	0	3	348.410	1.065	1	30		EDEFHN
C=CCc1cc(CCC(N)=O)ccc1C#C[C@@]1(O)CN2CCC1CC2	ZINC000027707030	212573751	/nfs/dbraw/zinc/57/37/51/212573751.db2.gz	QTOHFRVSBTVFQJ-OAQYLSRUSA-N	0	3	338.451	1.641	1	30		EDEFHN
CC(C)(SCc1ccccn1)[C@H](N)C(=O)N1C[C@@H](F)C[C@H]1C#N	ZINC000028563090	581095121	/nfs/dbraw/zinc/09/51/21/581095121.db2.gz	RYZOESTYPHSCPV-FPMFFAJLSA-N	0	3	336.436	1.883	1	30		EDEFHN
CCN(CC)CCNc1c(C#N)[n+]([O-])c2cc(Cl)ccc2[n+]1[O-]	ZINC000100918414	219111348	/nfs/dbraw/zinc/11/13/48/219111348.db2.gz	QSYUWLRJQWMBDS-UHFFFAOYSA-N	0	3	335.795	1.385	1	30		EDEFHN
CN(C)CCN1C(=O)CC[C@@H]2[C@@H]1CCN2C(=O)c1ccc(C#N)cc1	ZINC000299842184	257655084	/nfs/dbraw/zinc/65/50/84/257655084.db2.gz	KXDYXLFVDIJXBA-SJORKVTESA-N	0	3	340.427	1.325	1	30		EDEFHN
CCCCCCCCCCCC(=O)NC[C@H]1N[C@H](CO)[C@H](O)[C@@H]1O	ZINC000036323381	202321967	/nfs/dbraw/zinc/32/19/67/202321967.db2.gz	DTRSDZHNDHKQMW-AHCXZYCDSA-N	0	3	344.496	1.078	1	30		EDEFHN
CC(C)(C)CC(=O)N1CCC([C@H](N)C(=O)N2[C@H]3C[C@H]3C[C@H]2C#N)CC1	ZINC000003949866	210094158	/nfs/dbraw/zinc/09/41/58/210094158.db2.gz	GPFKRRYSDWZMST-AESZEHBQSA-N	0	3	346.475	1.501	1	30		EDEFHN
CCCCCCCCCC[C@H](O)C[C@H]1C[C@H](O)[C@@H](O)[C@@H](CO)N1	ZINC000049881928	214035638	/nfs/dbraw/zinc/03/56/38/214035638.db2.gz	MTISSSLHXUBMPA-JCECYMMASA-N	0	3	331.497	1.713	1	30		EDEFHN
C=C1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@@](C)(O)[C@@H](C)[C@@H]1C)[C@H]23	ZINC000070450841	560049221	/nfs/dbraw/zinc/04/92/21/560049221.db2.gz	FLUOSFVUPTUYEX-OJLVENBBSA-N	0	3	335.400	1.049	1	30	biogenic,in-vitro	EDEFHN
C#Cc1cnc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O	ZINC000066104015	215011445	/nfs/dbraw/zinc/01/14/45/215011445.db2.gz	YCUMLJVNWYDUHG-QGZVFWFLSA-N	0	3	333.395	1.072	1	30		EDEFHN