smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C[N@@H+]2CCCC3(CCN(Cc4cccs4)CC3)C2)cc1	ZINC000096047372	570473628	/nfs/dbraw/zinc/47/36/28/570473628.db2.gz	FAFZQMIXTRWFOI-UHFFFAOYSA-N	1	3	354.563	4.935	40	0		FJABHO
Cc1ccc(C[N@H+]2CCCC3(CCN(Cc4cccs4)CC3)C2)cc1	ZINC000096047372	570473631	/nfs/dbraw/zinc/47/36/31/570473631.db2.gz	FAFZQMIXTRWFOI-UHFFFAOYSA-N	1	3	354.563	4.935	40	0		FJABHO
COc1ccc(-c2cccc(CN3CCCC[C@@H]3CC[NH+](C)C)c2)cc1	ZINC000057775550	221094523	/nfs/dbraw/zinc/09/45/23/221094523.db2.gz	GDSSUABGLKZROX-JOCHJYFZSA-N	1	3	352.522	4.668	40	0		FJABHO
CN1Cc2ccccc2OC2(CCC([N@H+](C)CC3CCCCC3)CC2)C1	ZINC000257330841	529865014	/nfs/dbraw/zinc/86/50/14/529865014.db2.gz	XQGDBMHOSHNQPY-UHFFFAOYSA-N	1	3	356.554	4.704	40	0		FJABHO
CN1Cc2ccccc2OC2(CCC([N@@H+](C)CC3CCCCC3)CC2)C1	ZINC000257330841	529865015	/nfs/dbraw/zinc/86/50/15/529865015.db2.gz	XQGDBMHOSHNQPY-UHFFFAOYSA-N	1	3	356.554	4.704	40	0		FJABHO
CC[NH+](CC)CCCNc1ncnc2c1C(c1ccccc1)c1ccccc1-2	ZINC000005561567	204216423	/nfs/dbraw/zinc/21/64/23/204216423.db2.gz	JMYXGRPOCSHCQW-OAQYLSRUSA-N	1	3	372.516	4.781	40	0		FJABHO
Cc1ccc(C[NH+]2CCC3(CCN(Cc4cccs4)CC3)CC2)s1	ZINC000096047189	570473259	/nfs/dbraw/zinc/47/32/59/570473259.db2.gz	NEDCUHNFUIGSAA-UHFFFAOYSA-N	1	3	360.592	4.996	40	0		FJABHO
COc1cccc(C[NH+]2CCC3(CCN(Cc4ccsc4)CC3)CC2)c1	ZINC000096047241	570473357	/nfs/dbraw/zinc/47/33/57/570473357.db2.gz	KNELKYRINMXGGU-UHFFFAOYSA-N	1	3	370.562	4.635	40	0		FJABHO
COc1ccc(-c2cccc(CN3CCCC[C@H]3CC[NH+](C)C)c2)cc1	ZINC000057775548	221094214	/nfs/dbraw/zinc/09/42/14/221094214.db2.gz	GDSSUABGLKZROX-QFIPXVFZSA-N	1	3	352.522	4.668	40	0		FJABHO
Cc1ccc(CN2CCC3(CCC[N@H+](Cc4ccc(C)cc4)C3)CC2)o1	ZINC000096047376	209100905	/nfs/dbraw/zinc/10/09/05/209100905.db2.gz	PYVXYNMQEZQKOK-UHFFFAOYSA-N	1	3	352.522	4.775	40	0		FJABHO
Cc1ccc(CN2CCC3(CCC[N@@H+](Cc4ccc(C)cc4)C3)CC2)o1	ZINC000096047376	209100911	/nfs/dbraw/zinc/10/09/11/209100911.db2.gz	PYVXYNMQEZQKOK-UHFFFAOYSA-N	1	3	352.522	4.775	40	0		FJABHO
COc1cccc(CN2CCC3(CC[N@H+](Cc4ccc(C)s4)C3)CC2)c1	ZINC000096046637	209100198	/nfs/dbraw/zinc/10/01/98/209100198.db2.gz	UJDUHCZVWNNBCM-UHFFFAOYSA-N	1	3	370.562	4.553	40	0		FJABHO
COc1cccc(CN2CCC3(CC[N@@H+](Cc4ccc(C)s4)C3)CC2)c1	ZINC000096046637	209100201	/nfs/dbraw/zinc/10/02/01/209100201.db2.gz	UJDUHCZVWNNBCM-UHFFFAOYSA-N	1	3	370.562	4.553	40	0		FJABHO
Cc1ccc(C[NH+]2CCC3(CCN(Cc4cccs4)CC3)CC2)cc1	ZINC000096047254	570473318	/nfs/dbraw/zinc/47/33/18/570473318.db2.gz	YGQRHEGMFTYUCM-UHFFFAOYSA-N	1	3	354.563	4.935	40	0		FJABHO
CN1Cc2ccccc2OC2(CCC([N@H+](C)CC3=CCCCC3)CC2)C1	ZINC000257228804	571152373	/nfs/dbraw/zinc/15/23/73/571152373.db2.gz	FVIIWDFNGXYDKO-UHFFFAOYSA-N	1	3	354.538	4.624	40	0		FJABHO
CN1Cc2ccccc2OC2(CCC([N@@H+](C)CC3=CCCCC3)CC2)C1	ZINC000257228804	571152375	/nfs/dbraw/zinc/15/23/75/571152375.db2.gz	FVIIWDFNGXYDKO-UHFFFAOYSA-N	1	3	354.538	4.624	40	0		FJABHO
Cc1ccc(CN2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)o1	ZINC000096047259	209099635	/nfs/dbraw/zinc/09/96/35/209099635.db2.gz	ZNAPKSZXXVCFQG-UHFFFAOYSA-N	1	3	352.522	4.775	40	0		FJABHO
CCN1Cc2ccccc2OC2(CCC([N@H+](C)C[C@@H]3CC=CCC3)CC2)C1	ZINC000257245176	527992923	/nfs/dbraw/zinc/99/29/23/527992923.db2.gz	IOJHWJJEEJAVOC-CKQIISDPSA-N	1	3	368.565	4.870	40	0		FJABHO
CCN1Cc2ccccc2OC2(CCC([N@@H+](C)C[C@@H]3CC=CCC3)CC2)C1	ZINC000257245176	527992925	/nfs/dbraw/zinc/99/29/25/527992925.db2.gz	IOJHWJJEEJAVOC-CKQIISDPSA-N	1	3	368.565	4.870	40	0		FJABHO
Cc1ccc(C[N@@H+]2CCCC3(CCN(Cc4ccsc4)CC3)C2)cc1	ZINC000096047374	570473672	/nfs/dbraw/zinc/47/36/72/570473672.db2.gz	JVDYAFVNNSJSRP-UHFFFAOYSA-N	1	3	354.563	4.935	40	0		FJABHO
Cc1ccc(C[N@H+]2CCCC3(CCN(Cc4ccsc4)CC3)C2)cc1	ZINC000096047374	570473675	/nfs/dbraw/zinc/47/36/75/570473675.db2.gz	JVDYAFVNNSJSRP-UHFFFAOYSA-N	1	3	354.563	4.935	40	0		FJABHO
Fc1cccc(CN2CCC3(CC2)CC[NH+](Cc2ccsc2)CC3)c1	ZINC000096047230	221998789	/nfs/dbraw/zinc/99/87/89/221998789.db2.gz	ITRYRBUUXWRSNB-UHFFFAOYSA-N	1	3	358.526	4.765	40	0		FJABHO
CCN1Cc2ccccc2OC2(CCC([N@H+](C)C[C@H]3CC=CCC3)CC2)C1	ZINC000257245177	571153804	/nfs/dbraw/zinc/15/38/04/571153804.db2.gz	IOJHWJJEEJAVOC-INVBSJAUSA-N	1	3	368.565	4.870	40	0		FJABHO
CCN1Cc2ccccc2OC2(CCC([N@@H+](C)C[C@H]3CC=CCC3)CC2)C1	ZINC000257245177	571153805	/nfs/dbraw/zinc/15/38/05/571153805.db2.gz	IOJHWJJEEJAVOC-INVBSJAUSA-N	1	3	368.565	4.870	40	0		FJABHO
Fc1ccc(CN2CCC3(CC2)CC[NH+](Cc2cccs2)CC3)cc1	ZINC000096047190	221998918	/nfs/dbraw/zinc/99/89/18/221998918.db2.gz	RSWGCLZXPIODBM-UHFFFAOYSA-N	1	3	358.526	4.765	40	0		FJABHO
COc1ccc(CN2CCC3(CC2)CC[NH+](Cc2cccs2)CC3)cc1	ZINC000096047191	209100130	/nfs/dbraw/zinc/10/01/30/209100130.db2.gz	KMICREQIVBOVOJ-UHFFFAOYSA-N	1	3	370.562	4.635	40	0		FJABHO
COc1cccc(CN2CCC3(CC2)CC[NH+](Cc2cccs2)CC3)c1	ZINC000096047240	209099197	/nfs/dbraw/zinc/09/91/97/209099197.db2.gz	VEXFZRAWEFIBKQ-UHFFFAOYSA-N	1	3	370.562	4.635	40	0		FJABHO
Cc1ccc(C[NH+]2CCC3(CCN(Cc4ccsc4)CC3)CC2)cc1	ZINC000096047256	570472900	/nfs/dbraw/zinc/47/29/00/570472900.db2.gz	MHNFYXQTEYJWMC-UHFFFAOYSA-N	1	3	354.563	4.935	40	0		FJABHO
CC[NH+](CC)CCCNc1ncnc2c1C(c1ccccc1)c1ccccc1-2	ZINC000004990929	207068755	/nfs/dbraw/zinc/06/87/55/207068755.db2.gz	JMYXGRPOCSHCQW-NRFANRHFSA-N	1	3	372.516	4.781	40	0		FJABHO