smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N+](C)(CC)CCC[C@@H](C)[N+]1(C)C[C@@H]2CCCC[C@@H]2C1	ZINC000004792429	170017764	/nfs/dbraw/zinc/01/77/64/170017764.db2.gz	LSEJDYDMALMADN-BTXHWTSGSA-N	2	0	296.543	3.908	40	5		CHBBRP
CC[N+](C)(CC)CCCC[N+]1(C)C[C@@H]2CCCC[C@@H]2C1	ZINC000017315727	567875723	/nfs/dbraw/zinc/87/57/23/567875723.db2.gz	PIKSGYKVZXNGNR-UFRUDQCGSA-N	2	0	282.516	3.520	40	5		CHBBRP
CC[N+](C)(CC)CCC[C@H](C)[N+]1(C)C[C@@H]2CCCC[C@@H]2C1	ZINC000001673491	567841112	/nfs/dbraw/zinc/84/11/12/567841112.db2.gz	LSEJDYDMALMADN-FCJLEINESA-N	2	0	296.543	3.908	40	5		CHBBRP
CCC[N+](C)(CCc1ccccc1)CC[N+](C)(CC)CC	ZINC000005432118	170098980	/nfs/dbraw/zinc/09/89/80/170098980.db2.gz	FZNOTFUEKQEKDG-UHFFFAOYSA-N	2	0	292.511	3.572	40	5		CHBBRP
CC(C)(CCCCC(C)(C)[N+](C)(C)C)[N+](C)(C)C	ZINC000001636923	567840158	/nfs/dbraw/zinc/84/01/58/567840158.db2.gz	OBTUCYODXRVVPK-UHFFFAOYSA-N	2	0	258.494	3.516	40	5		CHBBRP
C(C[N+]12CC[N+](CCC3CCCC3)(CC1)C2)C1CCCC1	ZINC000019319550	567877592	/nfs/dbraw/zinc/87/75/92/567877592.db2.gz	DRSWWUKTYKRCFJ-UHFFFAOYSA-N	2	0	292.511	3.765	40	5		CHBBRP
C[C@@H]1CCCCC[N+]12CC[N+]1(CC2)CCCCC[C@@H]1C	ZINC000017143103	567874975	/nfs/dbraw/zinc/87/49/75/567874975.db2.gz	VQPMOHZRVXUVFS-VCWRXUFXSA-N	2	0	280.500	3.559	40	5		CHBBRP
CCC[N@@+](C)(CCc1ccccc1)CC[N+](C)(CC)CC	ZINC000247638777	334286977	/nfs/dbraw/zinc/28/69/77/334286977.db2.gz	FZNOTFUEKQEKDG-NRFANRHFSA-N	2	0	292.511	3.572	40	5		CHBBRP
CC[N+](C)(CC)CCCC[N+]1(C)C[C@H]2CCCC[C@@H]2C1	ZINC000001688966	567841865	/nfs/dbraw/zinc/84/18/65/567841865.db2.gz	PIKSGYKVZXNGNR-QZTJIDSGSA-N	2	0	282.516	3.520	40	5		CHBBRP
c1ccc2cc3c(NCC[NH+]4CCCC4)cc[nH+]c3cc2c1	ZINC000033632750	567887146	/nfs/dbraw/zinc/88/71/46/567887146.db2.gz	AJWPBWQAQQJXGQ-UHFFFAOYSA-N	2	0	291.398	3.896	40	5		CHBBRP
C[C@@H]1CCCCC[N+]12CC[N+]1(CC2)CCCCC[C@H]1C	ZINC000001670741	567841065	/nfs/dbraw/zinc/84/10/65/567841065.db2.gz	VQPMOHZRVXUVFS-UVHRUJRTSA-N	2	0	280.500	3.559	40	5		CHBBRP
CC[N+](CC)(CC)CCCC[N+](CC)(CC)CC	ZINC000001683758	169741283	/nfs/dbraw/zinc/74/12/83/169741283.db2.gz	YUDFVGXOXFMORI-UHFFFAOYSA-N	2	0	258.494	3.520	40	5		CHBBRP
C[N+]1(CCCC[N+]2(C)CCCCCC2)CCCCCC1	ZINC000001646440	567840131	/nfs/dbraw/zinc/84/01/31/567840131.db2.gz	WNBMYOAZFAQTCP-UHFFFAOYSA-N	2	0	282.516	3.808	40	5		CHBBRP
CC[N+](C)(CC)CCCC[N+]1(C)C[C@@H]2CCCC[C@H]2C1	ZINC000001688967	567841665	/nfs/dbraw/zinc/84/16/65/567841665.db2.gz	PIKSGYKVZXNGNR-ROUUACIJSA-N	2	0	282.516	3.520	40	5		CHBBRP
CC[N+](C)(CC)CCC[C@@H](C)[N+]1(C)C[C@H]2CCCC[C@@H]2C1	ZINC000004792430	170017520	/nfs/dbraw/zinc/01/75/20/170017520.db2.gz	LSEJDYDMALMADN-GUDVDZBRSA-N	2	0	296.543	3.908	40	5		CHBBRP
C[C@H]1CCCC2(CC[N+](C)(CCC[N+](C)(C)C)CC2)C1	ZINC000001621352	567839841	/nfs/dbraw/zinc/83/98/41/567839841.db2.gz	ONJNGXXZZLUSKY-ZJRDLVKKSA-N	2	0	282.516	3.520	40	5	in-vitro	CHBBRP
C[N+](C)(C)CCCCC[NH2+]CC12CC3CC(CC(C3)C1)C2	ZINC000003995975	560193133	/nfs/dbraw/zinc/19/31/33/560193133.db2.gz	IWYZMMIPAJDJBN-UHFFFAOYSA-N	2	0	293.519	3.669	40	5	in-vitro	CHBBRP
C[C@@H]1CCCC2(CC[N+](C)(CCC[N+](C)(C)C)CC2)C1	ZINC000001621353	567839779	/nfs/dbraw/zinc/83/97/79/567839779.db2.gz	ONJNGXXZZLUSKY-PGYGNJIDSA-N	2	0	282.516	3.520	40	5	in-vitro	CHBBRP
CC1(C)CCC2(CC1)CC[N+](C)(CCC[N+](C)(C)C)CC2	ZINC000001680250	567841394	/nfs/dbraw/zinc/84/13/94/567841394.db2.gz	RNZJUHKZAKKECO-UHFFFAOYSA-N	2	0	296.543	3.910	40	5		CHBBRP
CCCC[n+]1cccc([C@H]2CCC[N+]2(C)CCCC)c1	ZINC000004416972	567857221	/nfs/dbraw/zinc/85/72/21/567857221.db2.gz	MSKARMXXRYUKSJ-QSVWIEALSA-N	2	0	276.468	3.856	40	5		CHBBRP
C[C@H]1CCCCC[N+]12CC[N+]1(CC2)CCCCC[C@@H]1C	ZINC000001670742	567841110	/nfs/dbraw/zinc/84/11/10/567841110.db2.gz	VQPMOHZRVXUVFS-VCAKUFKGSA-N	2	0	280.500	3.559	40	5		CHBBRP
CC[N+](C)(CC)CCC[C@H](C)[N+]1(C)C[C@H]2CCCC[C@@H]2C1	ZINC000004792431	170017903	/nfs/dbraw/zinc/01/79/03/170017903.db2.gz	LSEJDYDMALMADN-IPMKNSEASA-N	2	0	296.543	3.908	40	5		CHBBRP
CCCC[n+]1cccc([C@@H]2CCC[N+]2(C)CCCC)c1	ZINC000001718365	567842379	/nfs/dbraw/zinc/84/23/79/567842379.db2.gz	MSKARMXXRYUKSJ-LROBGIAVSA-N	2	0	276.468	3.856	40	5		CHBBRP
CCC[N@+](C)(CCc1ccccc1)CC[N+](C)(CC)CC	ZINC000247638781	334286974	/nfs/dbraw/zinc/28/69/74/334286974.db2.gz	FZNOTFUEKQEKDG-OAQYLSRUSA-N	2	0	292.511	3.572	40	5		CHBBRP