smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]CCCC[NH2+]CCCC[NH2+]CCCC[NH2+]Cc1ccc2ccc3cccc4ccc1c2c34	ZINC000029055120	563073387	/nfs/dbraw/zinc/07/33/87/563073387.db2.gz	AINNPPDUAKONCO-UHFFFAOYSA-N	4	0	444.667	5.152	1	5		IKBFRP
CC[NH+](CC)CCNc1ccc2c3c(nn2CC[NH+](CC)CC)c2ccccc2sc31	ZINC000029333460	563078176	/nfs/dbraw/zinc/07/81/76/563078176.db2.gz	DQVDEIRCKQPLIX-UHFFFAOYSA-N	2	0	437.657	5.500	1	5		IKBFRP
CC[N+](CC)(CO)CCCCCCCCCCCCCCCC[N+](CC)(CC)CO	ZINC000058538390	563144055	/nfs/dbraw/zinc/14/40/55/563144055.db2.gz	DCLLVWDQLOKZJM-UHFFFAOYSA-N	2	0	430.762	6.061	1	5		IKBFRP
[NH3+]CCCC[NH2+]CCCCC[NH2+]CCCCC[NH2+]Cc1c2ccccc2cc2ccccc21	ZINC000013522195	562991347	/nfs/dbraw/zinc/99/13/47/562991347.db2.gz	YRGJPXMRYQQWRU-UHFFFAOYSA-N	4	0	448.699	5.341	1	5		IKBFRP
CCCCCC(=O)OC(CC1CC[N+]2(CCCC2)CC1)CC1CC[N+]2(CCCC2)CC1	ZINC000028824997	563066108	/nfs/dbraw/zinc/06/61/08/563066108.db2.gz	LIZVDKFKHNQSIB-UHFFFAOYSA-N	2	0	434.709	5.300	1	5		IKBFRP
O=[N+]([O-])c1ccc([C@H]2C[N@@H+]3CCC[C@@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)cc1	ZINC000028885739	563068025	/nfs/dbraw/zinc/06/80/25/563068025.db2.gz	IEAJIOYCAZAKHN-CLJLJLNGSA-N	2	0	435.568	5.132	1	5		IKBFRP
O=[N+]([O-])c1ccc(Oc2ccccc2C[NH2+]CC2CC[NH+](CC3CCCCC3)CC2)cc1	ZINC000045339323	563131859	/nfs/dbraw/zinc/13/18/59/563131859.db2.gz	WCIVWNGTDVORMN-UHFFFAOYSA-N	2	0	437.584	5.769	1	5		IKBFRP
CC[NH+](CC)CCOc1c2c(nc3ccccc31)c1ccccc1n2CC[NH+](CC)CC	ZINC000064548920	563155493	/nfs/dbraw/zinc/15/54/93/563155493.db2.gz	NLLFRPMDBKVGRY-UHFFFAOYSA-N	2	0	432.612	5.405	1	5		IKBFRP
C[N+]1(C)CCC(C2CC[N+](C)(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1	ZINC000029042722	563072255	/nfs/dbraw/zinc/07/22/55/563072255.db2.gz	LSPYKEZXDGMHKJ-UHFFFAOYSA-N	2	0	436.684	5.046	1	5		IKBFRP
Cc1cc(SCC[NH+](C)C)c2cc3c(SCC[NH+](C)C)cc(C)nc3c(C)c2n1	ZINC000027324069	563041559	/nfs/dbraw/zinc/04/15/59/563041559.db2.gz	ZXGPXCPUPLQTNC-UHFFFAOYSA-N	2	0	428.671	5.016	1	5		IKBFRP
O=[N+]([O-])c1ccc([C@@H]2C[N@@H+]3CCC[C@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)cc1	ZINC000058685767	563146111	/nfs/dbraw/zinc/14/61/11/563146111.db2.gz	IEAJIOYCAZAKHN-UIOOFZCWSA-N	2	0	435.568	5.132	1	5		IKBFRP
C/C=C1/C[N+]2(C)CCc3c4ccccc4[nH]c3[C@@H]2C[C@@H]1CC1=[NH+]CCc2c3ccccc3[nH]c21	ZINC000085979402	717137471	/nfs/dbraw/zinc/13/74/71/717137471.db2.gz	OUOZWGQULDYCFD-MPMWDDIASA-N	2	0	449.622	6.095	1	5		IKBFRP
CC[N@H+](CCCC[NH2+]CCCC[NH2+]CCCC[NH3+])Cc1c2ccccc2cc2ccccc21	ZINC000029055324	563073427	/nfs/dbraw/zinc/07/34/27/563073427.db2.gz	KPNCFXIHAPMXSX-UHFFFAOYSA-N	4	0	448.699	5.293	1	5		IKBFRP
O=[N+]([O-])c1ccc([C@@H]2C[N@@H+]3CCC[C@@H]3c3cc(OCCC[NH+]4CCCCC4)ccc32)cc1	ZINC000028885733	563068063	/nfs/dbraw/zinc/06/80/63/563068063.db2.gz	IEAJIOYCAZAKHN-IZZNHLLZSA-N	2	0	435.568	5.132	1	5		IKBFRP
CC[NH+](CC)CCOc1cc2nc3cc(OCC[NH+](CC)CC)c(C)cc3cc2cc1C	ZINC000029404098	563079425	/nfs/dbraw/zinc/07/94/25/563079425.db2.gz	LOAXFNPOHVTYOT-UHFFFAOYSA-N	2	0	437.628	5.446	1	5		IKBFRP
O=C(OC(CC1CC[N+]2(CCCC2)CC1)CC1CC[N+]2(CCCC2)CC1)c1ccccc1	ZINC000028825001	563066125	/nfs/dbraw/zinc/06/61/25/563066125.db2.gz	UKODQLHYHUOQRJ-UHFFFAOYSA-N	2	0	440.672	5.033	1	5		IKBFRP
CCCCCNC(=O)OC(CC1CC[N+]2(CCCC2)CC1)CC1CC[N+]2(CCCC2)CC1	ZINC000028825002	563066127	/nfs/dbraw/zinc/06/61/27/563066127.db2.gz	MOCKNXCOLRJMBB-UHFFFAOYSA-O	2	0	449.724	5.093	1	5		IKBFRP
CC[NH+](CC)CCCOc1ccc2cc3ccc(OCCC[NH+](CC)CC)cc3nc2c1	ZINC000029413665	563079917	/nfs/dbraw/zinc/07/99/17/563079917.db2.gz	LMIYQXPRAFDODK-UHFFFAOYSA-N	2	0	437.628	5.609	1	5		IKBFRP