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)CCCCCC[N@H+]1C[C@@H]2CCCC[C@@H]2C1	ZINC000001688953	567841858	/nfs/dbraw/zinc/84/18/58/567841858.db2.gz	SUMPUWWJAUHHLL-HDICACEKSA-N	2	0	280.500	4.011	40	0		CIABRP
C#[N+]C(=C/c1ccc(O)cc1)/C(=C\c1ccc(O)cc1)[N+]#C	ZINC000017020159	567874459	/nfs/dbraw/zinc/87/44/59/567874459.db2.gz	KULLCBWFMRJJSX-JYFOCSDGSA-P	2	0	290.322	4.405	40	0		CIABRP
CCC[C@@H](c1ccc([C@H](CCC)[NH+](C)C)cc1)[NH+](C)C	ZINC000255190469	189997040	/nfs/dbraw/zinc/99/70/40/189997040.db2.gz	XJUDNOQRBRDKBI-ROUUACIJSA-N	2	0	276.468	4.492	40	0		CIABRP
CC(C)[NH+](C(C)C)[C@@H]1C=C[C@@H]([NH+](C(C)C)C(C)C)CC1	ZINC000002022262	567844006	/nfs/dbraw/zinc/84/40/06/567844006.db2.gz	QRFNQIWIYMBKEN-QZTJIDSGSA-N	2	0	280.500	4.311	40	0		CIABRP
CC(C)(C)CC[NH2+][C@@H]1CCCC[C@H]1[NH2+]CCC(C)(C)C	ZINC000038433185	174141582	/nfs/dbraw/zinc/14/15/82/174141582.db2.gz	QMXBPISHDZOHRJ-HZPDHXFCSA-N	2	0	282.516	4.349	40	0		CIABRP
c1ccc(C[NH2+]CCCCCC[NH2+]Cc2ccccc2)cc1	ZINC000001686973	570383659	/nfs/dbraw/zinc/38/36/59/570383659.db2.gz	SDEZNODBTRWJQZ-UHFFFAOYSA-N	2	0	296.458	4.126	40	0		CIABRP
CC(C)[NH+](C(C)C)[C@H]1C=C[C@H]([NH+](C(C)C)C(C)C)CC1	ZINC000002022261	169768696	/nfs/dbraw/zinc/76/86/96/169768696.db2.gz	QRFNQIWIYMBKEN-ROUUACIJSA-N	2	0	280.500	4.311	40	0		CIABRP
CCCCC[NH+](CCCCC)CCCCCC[NH3+]	ZINC000004428809	567018999	/nfs/dbraw/zinc/01/89/99/567018999.db2.gz	AWUAEMXUJFMQDA-UHFFFAOYSA-N	2	0	256.478	4.188	40	0		CIABRP
C#[N+]C(=C\c1ccc(O)cc1)/C(=C/c1ccc(O)cc1)[N+]#C	ZINC000017020162	567874682	/nfs/dbraw/zinc/87/46/82/567874682.db2.gz	KULLCBWFMRJJSX-WHYMJUELSA-P	2	0	290.322	4.405	40	0		CIABRP
C[NH+](C)CCCCCCCCCCCC[NH+](C)C	ZINC000005957542	170162408	/nfs/dbraw/zinc/16/24/08/170162408.db2.gz	STZDFHAKFMWLAD-UHFFFAOYSA-N	2	0	256.478	4.011	40	0		CIABRP
CCCCCC[C@@H](C[NH2+]CCCC)[NH2+]CCCC	ZINC000043752075	567906480	/nfs/dbraw/zinc/90/64/80/567906480.db2.gz	CTQIFTUBWSRHFK-INIZCTEOSA-N	2	0	256.478	4.105	40	0		CIABRP
CCCCCC[C@H](C[NH2+]CCCC)[NH2+]CCCC	ZINC000043752077	567906672	/nfs/dbraw/zinc/90/66/72/567906672.db2.gz	CTQIFTUBWSRHFK-MRXNPFEDSA-N	2	0	256.478	4.105	40	0		CIABRP
C#[N+]C(=C/c1ccc(O)cc1)/C(=C/c1ccc(O)cc1)[N+]#C	ZINC000017749189	527464671	/nfs/dbraw/zinc/46/46/71/527464671.db2.gz	KULLCBWFMRJJSX-MJZABRMRSA-P	2	0	290.322	4.405	40	0		CIABRP
C(CCC[NH2+]C1CCCCC1)CC[NH2+]C1CCCCC1	ZINC000005188799	170074773	/nfs/dbraw/zinc/07/47/73/170074773.db2.gz	HWMMYAWUTCKNKH-UHFFFAOYSA-N	2	0	280.500	4.391	40	0		CIABRP
CC[NH+](CC)CCCCCC[NH+]1C[C@H]2CCCC[C@@H]2C1	ZINC000001688954	567841812	/nfs/dbraw/zinc/84/18/12/567841812.db2.gz	SUMPUWWJAUHHLL-QZTJIDSGSA-N	2	0	280.500	4.011	40	0		CIABRP
CC[NH+](CC)CCC[C@H](C)Nc1cc[nH+]c2cc(C)ccc12	ZINC000001586619	567838754	/nfs/dbraw/zinc/83/87/54/567838754.db2.gz	KMTUHBYPYWRVIJ-INIZCTEOSA-N	2	0	299.462	4.466	40	0		CIABRP
CC(C)[NH+](C(C)C)[C@H]1C=C[C@@H]([NH+](C(C)C)C(C)C)CC1	ZINC000002022260	567844020	/nfs/dbraw/zinc/84/40/20/567844020.db2.gz	QRFNQIWIYMBKEN-HDICACEKSA-N	2	0	280.500	4.311	40	0		CIABRP
CCC[C@H](c1ccc([C@H](CCC)[NH+](C)C)cc1)[NH+](C)C	ZINC000255190467	189996865	/nfs/dbraw/zinc/99/68/65/189996865.db2.gz	XJUDNOQRBRDKBI-HDICACEKSA-N	2	0	276.468	4.492	40	0		CIABRP
CC[NH+](CC)CCCCCC[NH+]1C[C@@H]2CCCC[C@H]2C1	ZINC000001688955	567841843	/nfs/dbraw/zinc/84/18/43/567841843.db2.gz	SUMPUWWJAUHHLL-ROUUACIJSA-N	2	0	280.500	4.011	40	0		CIABRP
CC[NH+](CC)CCC[C@@H](C)Nc1cc[nH+]c2cc(C)ccc12	ZINC000005561605	170113946	/nfs/dbraw/zinc/11/39/46/170113946.db2.gz	KMTUHBYPYWRVIJ-MRXNPFEDSA-N	2	0	299.462	4.466	40	0		CIABRP
CCC[C@H](c1ccc([C@@H](CCC)[NH+](C)C)cc1)[NH+](C)C	ZINC000255190468	570323316	/nfs/dbraw/zinc/32/33/16/570323316.db2.gz	XJUDNOQRBRDKBI-QZTJIDSGSA-N	2	0	276.468	4.492	40	0		CIABRP