smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)CC#CCC1(CC#CC[NH+](CC)CC)c2ccccc2-c2ccccc21	ZINC000001818344	569006822	/nfs/dbraw/zinc/00/68/22/569006822.db2.gz	UVTZUNBBOGGHFF-UHFFFAOYSA-N	2	0	412.621	5.424	50	30		HKEARP
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+]CCC[NH+](CCCC)CCCC)[C@H]3C[C@@H]12	ZINC000004073555	568938007	/nfs/dbraw/zinc/93/80/07/568938007.db2.gz	CURRYBTXBNEGJH-HROMDODWSA-N	2	0	418.666	5.183	50	30	biogenic	HKEARP
C[S+]1Cc2ccc3ccc(cc3c2)C[S+](C)Cc2ccc3ccc(cc3c2)C1	ZINC000004532614	557564323	/nfs/dbraw/zinc/56/43/23/557564323.db2.gz	DISLMCPHYIJFJH-UHFFFAOYSA-N	2	0	402.628	6.203	50	30		HKEARP
C[S@+]1Cc2ccc(cc2)C[S@@+](C)Cc2ccc3ccc4ccc(cc4c3c2)C1	ZINC000004533380	568908302	/nfs/dbraw/zinc/90/83/02/568908302.db2.gz	YJEMQVQIKIRJLY-HNRBIFIRSA-N	2	0	402.628	6.203	50	30		HKEARP
C=CC[N+]1(C/C=C/c2ccccc2)CC[N+](CC=C)(C/C=C/c2ccccc2)CC1	ZINC000004811387	559069176	/nfs/dbraw/zinc/06/91/76/559069176.db2.gz	BYXUWNIHHXFRNV-JYFOCSDGSA-N	2	0	400.610	5.432	50	30		HKEARP
CCCC[NH+](CC#Cc1ccc(C#CC[NH+](CCCC)CCCC)cc1)CCCC	ZINC000004827949	559155409	/nfs/dbraw/zinc/15/54/09/559155409.db2.gz	HDHBMCJZKDDFNW-UHFFFAOYSA-N	2	0	408.674	6.194	50	30		HKEARP
C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](C[NH2+]CCC[NH+](CCCC)CCCC)[C@@H]3C[C@H]12	ZINC000006778346	569118876	/nfs/dbraw/zinc/11/88/76/569118876.db2.gz	CURRYBTXBNEGJH-PJNXIOHISA-N	2	0	418.666	5.183	50	30		HKEARP
C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](C[NH2+]CCC[NH+](CCCC)CCCC)[C@H]3C[C@H]12	ZINC000006778347	569118843	/nfs/dbraw/zinc/11/88/43/569118843.db2.gz	CURRYBTXBNEGJH-FYAAGUIMSA-N	2	0	418.666	5.183	50	30		HKEARP
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+]CCC[NH+](CCCC)CCCC)[C@H]3C[C@@H]12	ZINC000012865402	569012110	/nfs/dbraw/zinc/01/21/10/569012110.db2.gz	CURRYBTXBNEGJH-IUSCBXDMSA-N	2	0	418.666	5.183	50	30	biogenic	HKEARP
CCCC(CC)(CC)N1C[N@@H+](C(CC)(CC)CCC)C[P+](C)(c2ccccc2)C1	ZINC000019322939	558867488	/nfs/dbraw/zinc/86/74/88/558867488.db2.gz	QCHJCBHRLKZPCG-UHFFFAOYSA-N	2	0	419.658	7.167	50	30		HKEARP
C[S@+]1Cc2ccc(cc2)C[S@@+](C)Cc2ccc3ccc4ccc(cc4c3c2)C1	ZINC000025694140	525360616	/nfs/dbraw/zinc/36/06/16/525360616.db2.gz	YJEMQVQIKIRJLY-NSOVKSMOSA-N	2	0	402.628	6.203	50	30		HKEARP
CN(CCC#N)c1ccc(C[NH2+]Cc2ccccc2-c2ccc(C[NH+](C)C)cc2)cc1	ZINC000030669454	521892741	/nfs/dbraw/zinc/89/27/41/521892741.db2.gz	UOJCIZDHAGDZKG-UHFFFAOYSA-N	2	0	412.581	5.055	50	30		HKEARP
CCCCCCCCC[n+]1ccc(-c2cc[n+](CCCCCCCCC)cc2)cc1	ZINC000059608850	558937747	/nfs/dbraw/zinc/93/77/47/558937747.db2.gz	OLDFYTCPPFOTQH-UHFFFAOYSA-N	2	0	410.690	7.430	50	30		HKEARP
CCCCCCCCCOCn1c2ccccc2n(CC[NH+]2CCCCC2)c1=[NH2+]	ZINC000100721382	559259987	/nfs/dbraw/zinc/25/99/87/559259987.db2.gz	ZLYHPXMHVZINIQ-UHFFFAOYSA-N	2	0	400.611	5.133	50	30		HKEARP
CCCCCCCCCCOCn1c2ccccc2n(CC[NH+](CC)CC)c1=[NH2+]	ZINC000100722197	559260034	/nfs/dbraw/zinc/26/00/34/559260034.db2.gz	NXYVHEWZQHPSCX-UHFFFAOYSA-N	2	0	402.627	5.379	50	30		HKEARP
CCN(CC)c1ccc(C=[NH+]N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1	ZINC000252429450	569285386	/nfs/dbraw/zinc/28/53/86/569285386.db2.gz	QMUHYNPZSXIMDG-UHFFFAOYSA-N	2	0	424.592	5.254	50	30		HKEARP
C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](C[NH2+]CCC[NH+](CCCC)CCCC)[C@@H]3C[C@@H]12	ZINC000253487020	569381726	/nfs/dbraw/zinc/38/17/26/569381726.db2.gz	CURRYBTXBNEGJH-AOYLRGCGSA-N	2	0	418.666	5.183	50	30		HKEARP
C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](C[NH2+]CCC[NH+](CCCC)CCCC)[C@H]3C[C@@H]12	ZINC000253487021	569381734	/nfs/dbraw/zinc/38/17/34/569381734.db2.gz	CURRYBTXBNEGJH-WFMHDFSVSA-N	2	0	418.666	5.183	50	30		HKEARP