smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)CC1	ZINC000069922669	435978244	/nfs/dbraw/zinc/97/82/44/435978244.db2.gz	YMNRKCYWSIQGCD-KDOFPFPSSA-N	2	0	336.480	0.819	50	30		ECEARP
CC[NH+]=C(NCCc1cnn(C)c1C)NC[C@H](C)N1CC[NH+](C)CC1	ZINC000097022024	258067950	/nfs/dbraw/zinc/06/79/50/258067950.db2.gz	ZUNWQNSFTOBEKZ-HNNXBMFYSA-N	2	0	349.527	0.462	50	30		ECEARP
Cc1c(CN2CCC([NH+]3CCN(CCO)CC3)CC2)cc(C#N)n1C	ZINC000952991311	612140297	/nfs/dbraw/zinc/14/02/97/612140297.db2.gz	NMKIEUCSOUDZJL-UHFFFAOYSA-N	2	0	345.491	0.780	50	30		ECEARP
C[NH+](C)CCCCCC[N@H+](C)CCC[NH2+]CCCNC(=O)/C=N/O	ZINC000575443662	438749299	/nfs/dbraw/zinc/74/92/99/438749299.db2.gz	XRQOYQFSICIAOA-CAPFRKAQSA-N	3	0	343.516	0.986	50	30		ECEARP
CC(C)[N@H+](C)CCNC(NCCCN1CCOCC1)=[NH+]C1CC1	ZINC000069778405	435966507	/nfs/dbraw/zinc/96/65/07/435966507.db2.gz	YVSZWGVJGHWFTN-UHFFFAOYSA-N	2	0	325.501	0.747	50	30		ECEARP
CCS(=O)(=O)NCCNC(NCC[NH+]1CCCCC1)=[NH+]C1CC1	ZINC000078814093	436278794	/nfs/dbraw/zinc/27/87/94/436278794.db2.gz	XTDAAOONMDGZKP-UHFFFAOYSA-N	2	0	345.513	0.109	50	30		ECEARP
C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)CC1	ZINC000069922665	435977959	/nfs/dbraw/zinc/97/79/59/435977959.db2.gz	YMNRKCYWSIQGCD-KSSFIOAISA-N	2	0	336.480	0.819	50	30		ECEARP
C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC1	ZINC000072270221	436040319	/nfs/dbraw/zinc/04/03/19/436040319.db2.gz	ZZMRGRUUTJLPMG-MRXNPFEDSA-N	2	0	337.512	0.962	50	30		ECEARP
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC1	ZINC000072270220	436038636	/nfs/dbraw/zinc/03/86/36/436038636.db2.gz	ZZMRGRUUTJLPMG-INIZCTEOSA-N	2	0	337.512	0.962	50	30		ECEARP
CC[NH+]=C(NCCCN1CCOCC1)NCC[NH+]1CCCCC1	ZINC000072271905	436038750	/nfs/dbraw/zinc/03/87/50/436038750.db2.gz	ZOUUQWYGZJTNEN-UHFFFAOYSA-N	2	0	325.501	0.750	50	30		ECEARP
CCN(CC)C(=O)C[N+](C)(C)CC[N+](C)(C)CC(=O)N(CC)CC	ZINC000006937687	210746784	/nfs/dbraw/zinc/74/67/84/210746784.db2.gz	HOCOYTJALQIUIM-UHFFFAOYSA-N	2	0	344.544	0.876	50	30		ECEARP
CC[NH+]=C(NCCc1cnn(C)c1C)NC[C@@H](C)N1CC[NH+](C)CC1	ZINC000097022022	258067985	/nfs/dbraw/zinc/06/79/85/258067985.db2.gz	ZUNWQNSFTOBEKZ-OAHLLOKOSA-N	2	0	349.527	0.462	50	30		ECEARP
N#Cc1ccc(N2CCN(C(=O)C34C[NH2+]CC3C[NH2+]C4)CC2)cc1	ZINC000065505854	283160605	/nfs/dbraw/zinc/16/06/05/283160605.db2.gz	QOYIXGGZZWEBQR-UHFFFAOYSA-N	2	0	325.416	0.016	50	30		ECEARP
C[NH+]1CCN(C[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2CO)CC1	ZINC000095363512	436491126	/nfs/dbraw/zinc/49/11/26/436491126.db2.gz	LVYMVGDBHNDBAI-RTBURBONSA-N	2	0	328.460	0.846	50	30		ECEARP
N#CCCN(CCC#N)C(=O)CN1CCC[C@H]([NH+]2CCOCC2)CC1	ZINC000328590424	437236829	/nfs/dbraw/zinc/23/68/29/437236829.db2.gz	MJYOTIUDJHBJJM-KRWDZBQOSA-N	2	0	347.463	0.829	50	30		ECEARP
C[N+]1(CC(=O)OCCCOC(=O)C[N+]2(C)CCCC2)CCCC1	ZINC000004185123	525358453	/nfs/dbraw/zinc/35/84/53/525358453.db2.gz	JVWMSCWBOODPAF-UHFFFAOYSA-N	2	0	328.453	0.944	50	30		ECEARP
C[N@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)CN2CC(=O)[O+]=N2)C1	ZINC000019225826	436109146	/nfs/dbraw/zinc/10/91/46/436109146.db2.gz	KQVZJSOZZORERC-HNNXBMFYSA-O	2	0	331.396	0.791	50	30		ECEARP
[NH2+]=C(NCCN1CC[NH+](Cc2ccccc2)CC1)NC[C@H]1CCCO1	ZINC000058159541	436620869	/nfs/dbraw/zinc/62/08/69/436620869.db2.gz	RKQUJIZNFNFLHB-GOSISDBHSA-N	2	0	345.491	0.888	50	30		ECEARP
C[NH+]=C(NCCN1CCOCC1)NCC(C)(C)[NH+]1CCCCC1	ZINC000104155094	523673068	/nfs/dbraw/zinc/67/30/68/523673068.db2.gz	NJYZJDVZADHJSH-UHFFFAOYSA-N	2	0	325.501	0.748	50	30		ECEARP
Cc1cc(N2CC[N@H+](Cc3cccc(C#N)c3)C[C@@H](O)C2)nc(N)[nH+]1	ZINC000217629688	241266452	/nfs/dbraw/zinc/26/64/52/241266452.db2.gz	KCDPSJIHRRADLH-MRXNPFEDSA-N	2	0	338.415	0.922	50	30		ECEARP
[NH2+]=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)N1CCOCC1	ZINC000097001279	436536437	/nfs/dbraw/zinc/53/64/37/436536437.db2.gz	QTSAWLLVKGUCPJ-UHFFFAOYSA-N	2	0	345.491	0.841	50	30		ECEARP
C[NH+]=C(NC[C@@H](C(C)C)N1CC[NH+](C)CC1)N(C)Cc1cnn(C)c1	ZINC000095397538	436493683	/nfs/dbraw/zinc/49/36/83/436493683.db2.gz	ZYLWCEJTMVKWPC-KRWDZBQOSA-N	2	0	349.527	0.699	50	30		ECEARP
C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)CC1	ZINC000106781198	290084334	/nfs/dbraw/zinc/08/43/34/290084334.db2.gz	YMNRKCYWSIQGCD-KBXCAEBGSA-N	2	0	336.480	0.819	50	30		ECEARP
Cc1cc(N2CC[N@H+](Cc3cccc(C#N)c3)C[C@H](O)C2)nc(N)[nH+]1	ZINC000097711706	219049608	/nfs/dbraw/zinc/04/96/08/219049608.db2.gz	KCDPSJIHRRADLH-INIZCTEOSA-N	2	0	338.415	0.922	50	30		ECEARP
CC[NH+]1CCN(Cc2ccc(CNC(=[NH2+])N3CCOCC3)cc2)CC1	ZINC000097001264	436536832	/nfs/dbraw/zinc/53/68/32/436536832.db2.gz	FQEHVUDDBFMGGW-UHFFFAOYSA-N	2	0	345.491	0.971	50	30		ECEARP
C[NH+]=C(NC[C@H](C(C)C)N1CC[NH+](C)CC1)N(C)Cc1cnn(C)c1	ZINC000095397537	218329689	/nfs/dbraw/zinc/32/96/89/218329689.db2.gz	ZYLWCEJTMVKWPC-QGZVFWFLSA-N	2	0	349.527	0.699	50	30		ECEARP
C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)CN2CC(=O)[O+]=N2)C1	ZINC000019225823	436107651	/nfs/dbraw/zinc/10/76/51/436107651.db2.gz	KQVZJSOZZORERC-OAHLLOKOSA-O	2	0	331.396	0.791	50	30		ECEARP
CCOCCC[NH+]=C(NCCC[N@H+](C)CCOC)N1CCOCC1	ZINC000072283336	436039925	/nfs/dbraw/zinc/03/99/25/436039925.db2.gz	SFIOUYFEOKYDJD-UHFFFAOYSA-N	2	0	344.500	0.659	50	30		ECEARP
N#CCCN(CCC#N)C(=O)CN1CCC[C@@H]([NH+]2CCOCC2)CC1	ZINC000328590425	437237439	/nfs/dbraw/zinc/23/74/39/437237439.db2.gz	MJYOTIUDJHBJJM-QGZVFWFLSA-N	2	0	347.463	0.829	50	30		ECEARP
CCOc1ccc(N2C(=O)C[C@@H](SC(=[NH2+])NC(N)=[NH2+])C2=O)cc1	ZINC000137997467	436659435	/nfs/dbraw/zinc/65/94/35/436659435.db2.gz	XHFLBGTZJJVJIW-SNVBAGLBSA-N	2	0	335.389	0.659	50	30		ECEARP
[NH2+]=C(NCCN1CC[NH+](Cc2ccccc2)CC1)NC[C@@H]1CCCO1	ZINC000058159540	436620707	/nfs/dbraw/zinc/62/07/07/436620707.db2.gz	RKQUJIZNFNFLHB-SFHVURJKSA-N	2	0	345.491	0.888	50	30		ECEARP
CC[NH+]=C(NC[C@@H]1CCC[N@H+](C)C1)N[C@@H]1CCCN(CCOC)C1	ZINC000086902228	545716610	/nfs/dbraw/zinc/71/66/10/545716610.db2.gz	ZUDCDLVQZYZYJR-DLBZAZTESA-N	2	0	339.528	0.994	50	30		ECEARP
CC[NH+]=C(NC[C@@H]1CCC[N@H+](C)C1)N[C@H]1CCCN(CCOC)C1	ZINC000108458785	436618922	/nfs/dbraw/zinc/61/89/22/436618922.db2.gz	ZUDCDLVQZYZYJR-IRXDYDNUSA-N	3	0	339.528	0.994	50	30		ECEARP
C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)CC1	ZINC000106781202	287085998	/nfs/dbraw/zinc/08/59/98/287085998.db2.gz	YMNRKCYWSIQGCD-RDTXWAMCSA-N	2	0	336.480	0.819	50	30		ECEARP