smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[NH+]1CCC([NH2+]C/C=C(\C)CCC=C(C)C)CC1	ZINC000032582042	567863553	/nfs/dbraw/zinc/86/35/53/567863553.db2.gz	WWUIFXOEOGMQKZ-RQZCQDPDSA-N	2	0	278.484	4.143	50	0		CIAARP
C[C@@H]([NH2+]CCCCCCC[NH+](C)C)c1cc(F)cc(F)c1	ZINC000225479611	189753408	/nfs/dbraw/zinc/75/34/08/189753408.db2.gz	NORULZAHQNSNNC-CQSZACIVSA-N	2	0	298.421	4.128	50	0		CIAARP
Cc1cc(NCCC[NH+]2CCC(C)CC2)c2ccccc2[nH+]1	ZINC000089583178	566984878	/nfs/dbraw/zinc/98/48/78/566984878.db2.gz	BBOBRKXSLMGHIT-UHFFFAOYSA-N	2	0	297.446	4.077	50	0		CIAARP
C[C@@H]1CC2=C(C[C@H]1C[NH2+]CCC[NH+](C)C)C(C)(C)CCC2	ZINC000003684545	169907885	/nfs/dbraw/zinc/90/78/85/169907885.db2.gz	YKGNLEQTTOPKRJ-WBVHZDCISA-N	2	0	292.511	4.081	50	0		CIAARP
CCCCC[n+]1ccc(-c2cc[n+](CCCCC)cc2)cc1	ZINC000001764497	566962178	/nfs/dbraw/zinc/96/21/78/566962178.db2.gz	MIIYNDHRNINXGS-UHFFFAOYSA-N	2	0	298.474	4.309	50	0		CIAARP
C[C@H]([NH2+]CCCCCCC[NH+](C)C)c1cc(F)cc(F)c1	ZINC000225479646	567953627	/nfs/dbraw/zinc/95/36/27/567953627.db2.gz	NORULZAHQNSNNC-AWEZNQCLSA-N	2	0	298.421	4.128	50	0		CIAARP
CC[NH+](CC)[C@H](CNc1cc(C)[nH+]c2ccccc12)C(C)C	ZINC000089967827	567033837	/nfs/dbraw/zinc/03/38/37/567033837.db2.gz	YNOOVBLZOXQPJR-LJQANCHMSA-N	2	0	299.462	4.322	50	0		CIAARP
Cc1cc(NCC2([NH+](C)C)CCCCC2)c2ccccc2[nH+]1	ZINC000089583145	566984348	/nfs/dbraw/zinc/98/43/48/566984348.db2.gz	CSCQYRUFVQAPAF-UHFFFAOYSA-N	2	0	297.446	4.220	50	0		CIAARP
C1C[NH+](C2CCCCCC2)CCC1[NH+]1CCCCCC1	ZINC000000236202	567822878	/nfs/dbraw/zinc/82/28/78/567822878.db2.gz	NAEASYFSLWQXPP-UHFFFAOYSA-N	2	0	278.484	4.050	50	0		CIAARP
COc1cc(-c2ccc([N+]#N)c(OC)c2)ccc1[N+]#N	ZINC000003861463	567854265	/nfs/dbraw/zinc/85/42/65/567854265.db2.gz	QMMMCTXNYMSXLI-UHFFFAOYSA-N	2	0	268.276	4.340	50	0	in-vitro	CIAARP
CC[C@@H]([NH2+]C1CCC2(CC[NH2+]CC2)CC1)c1cccs1	ZINC000952979094	615535388	/nfs/dbraw/zinc/53/53/88/615535388.db2.gz	FRLVFEBAQQZKJC-OAHLLOKOSA-N	2	0	292.492	4.101	50	0		CIAARP
c1cc[n+](CCCCCCCCCC[n+]2ccccc2)cc1	ZINC000001669613	567840767	/nfs/dbraw/zinc/84/07/67/567840767.db2.gz	UONDTBVSZIDJKA-UHFFFAOYSA-N	2	0	298.474	4.083	50	0	in-vivo	CIAARP
CC(C)=CCCC1=CC[C@H](C[NH2+]CCC[NH+](C)C)[C@H](C)C1	ZINC000004023552	567185776	/nfs/dbraw/zinc/18/57/76/567185776.db2.gz	RFROODWOQYPGPX-IEBWSBKVSA-N	2	0	292.511	4.247	50	0		CIAARP
CC[C@@H](C)[NH2+]Cc1c(C)sc(C)c1C[NH2+][C@@H](C)CC	ZINC000000189564	567821706	/nfs/dbraw/zinc/82/17/06/567821706.db2.gz	MSRUJRBNBHZECA-TXEJJXNPSA-N	2	0	282.497	4.141	50	0		CIAARP
c1ccc2c(C[NH+]3CCCC3)ccc(C[NH+]3CCCC3)c2c1	ZINC000001213359	570326248	/nfs/dbraw/zinc/32/62/48/570326248.db2.gz	VCYKVXBJXTXGNQ-UHFFFAOYSA-N	2	0	294.442	4.031	50	0		CIAARP
CC(C)[C@H](CC[NH2+]CCC[NH+](C)C)c1ccc(Cl)cc1	ZINC000006661522	170223592	/nfs/dbraw/zinc/22/35/92/170223592.db2.gz	ALMVPXHVZWWMFB-KRWDZBQOSA-N	2	0	296.886	4.011	50	0		CIAARP
CC(C)=CCCC1=CC[C@@H](C[NH2+]CCC[NH+](C)C)[C@@H](C)C1	ZINC000004023556	567185540	/nfs/dbraw/zinc/18/55/40/567185540.db2.gz	RFROODWOQYPGPX-HKUYNNGSSA-N	2	0	292.511	4.247	50	0		CIAARP
CCC[NH+]1CCC([N@H+](C)Cc2cccc3ccccc32)CC1	ZINC000035335364	172131730	/nfs/dbraw/zinc/13/17/30/172131730.db2.gz	PMBVPHIJMRKFEM-UHFFFAOYSA-N	2	0	296.458	4.146	50	0		CIAARP
CC(C)[C@@H](CC[NH2+]CCC[NH+](C)C)c1ccc(Cl)cc1	ZINC000006661521	170223474	/nfs/dbraw/zinc/22/34/74/170223474.db2.gz	ALMVPXHVZWWMFB-QGZVFWFLSA-N	2	0	296.886	4.011	50	0		CIAARP
CC[C@@H](C)[NH2+]Cc1c(C)sc(C)c1C[NH2+][C@H](C)CC	ZINC000000189570	567887454	/nfs/dbraw/zinc/88/74/54/567887454.db2.gz	MSRUJRBNBHZECA-VXGBXAGGSA-N	2	0	282.497	4.141	50	0		CIAARP
CC[C@H]([NH2+]C1CCC2(CC[NH2+]CC2)CC1)c1cccs1	ZINC000952979079	615817203	/nfs/dbraw/zinc/81/72/03/615817203.db2.gz	FRLVFEBAQQZKJC-HNNXBMFYSA-N	2	0	292.492	4.101	50	0		CIAARP
CC(C)=CCCC1=CC[C@H](C[NH2+]CCC[NH+](C)C)[C@@H](C)C1	ZINC000004023553	184528336	/nfs/dbraw/zinc/52/83/36/184528336.db2.gz	RFROODWOQYPGPX-PKOBYXMFSA-N	2	0	292.511	4.247	50	0		CIAARP
C[NH+](C)CCC[NH2+]C1CCCCCCCCCCC1	ZINC000004951352	170044716	/nfs/dbraw/zinc/04/47/16/170044716.db2.gz	ZFYNWAPXUAFXRQ-UHFFFAOYSA-N	2	0	268.489	4.201	50	0		CIAARP
Cc1cc(NCC(C)(C)[NH+]2CCCCC2)c2ccccc2[nH+]1	ZINC000089583094	566985268	/nfs/dbraw/zinc/98/52/68/566985268.db2.gz	HFNLPBAVYHJPBL-UHFFFAOYSA-N	2	0	297.446	4.220	50	0		CIAARP
CC(C)=CCCC1=CC[C@@H](C[NH2+]CCC[NH+](C)C)[C@H](C)C1	ZINC000004023555	567185761	/nfs/dbraw/zinc/18/57/61/567185761.db2.gz	RFROODWOQYPGPX-MJGOQNOKSA-N	2	0	292.511	4.247	50	0		CIAARP
CC[C@H](C)[NH2+]Cc1c(C)sc(C)c1C[NH2+][C@@H](C)CC	ZINC000000189567	567887453	/nfs/dbraw/zinc/88/74/53/567887453.db2.gz	MSRUJRBNBHZECA-RYUDHWBXSA-N	2	0	282.497	4.141	50	0		CIAARP
CC[NH+](CC)[C@@H](CNc1cc(C)[nH+]c2ccccc12)C(C)C	ZINC000089967825	567032130	/nfs/dbraw/zinc/03/21/30/567032130.db2.gz	YNOOVBLZOXQPJR-IBGZPJMESA-N	2	0	299.462	4.322	50	0		CIAARP
CC(C)[N@H+](C)Cc1ccc(C[NH2+]C2CCCCCC2)cc1	ZINC000062255326	567932097	/nfs/dbraw/zinc/93/20/97/567932097.db2.gz	LQVJWBOVUWXOKZ-UHFFFAOYSA-N	2	0	288.479	4.339	50	0		CIAARP
C[C@H]1CC2=C(C[C@@H]1C[NH2+]CCC[NH+](C)C)C(C)(C)CCC2	ZINC000003684546	169908094	/nfs/dbraw/zinc/90/80/94/169908094.db2.gz	YKGNLEQTTOPKRJ-DOTOQJQBSA-N	2	0	292.511	4.081	50	0		CIAARP
C[C@H](c1cccc(-c2cccc3c(N)cc[nH+]c32)c1)[NH+](C)C	ZINC000065419673	567899101	/nfs/dbraw/zinc/89/91/01/567899101.db2.gz	SMBVULFTEFIRTE-CYBMUJFWSA-N	2	0	291.398	4.107	50	0		CIAARP
C[C@@H](c1cccc(-c2cccc3c(N)cc[nH+]c32)c1)[NH+](C)C	ZINC000065419670	567899235	/nfs/dbraw/zinc/89/92/35/567899235.db2.gz	SMBVULFTEFIRTE-ZDUSSCGKSA-N	2	0	291.398	4.107	50	0		CIAARP