smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C(C)CN(CC)C(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C(C)C)CC2)C1	ZINC000011764020	211245164	/nfs/dbraw/zinc/24/51/64/211245164.db2.gz	QGLHAQRXJYJUFI-GOSISDBHSA-N	2	1	335.536	2.996	50	30		EFEAMP
C=CCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1	ZINC000012597450	1265317002	/nfs/dbraw/zinc/31/70/02/1265317002.db2.gz	LACVCDQSBPYRJR-IBGZPJMESA-N	2	1	341.499	2.665	50	30		EFEAMP
C=CCNC(=O)[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1	ZINC000012597450	1265317011	/nfs/dbraw/zinc/31/70/11/1265317011.db2.gz	LACVCDQSBPYRJR-IBGZPJMESA-N	2	1	341.499	2.665	50	30		EFEAMP
C=CCn1cc(C[N@H+]2CCCN(c3cc[nH+]cc3C)CC2)c(C)n1	ZINC000055307008	214303932	/nfs/dbraw/zinc/30/39/32/214303932.db2.gz	HBDNMABKUMGMFL-UHFFFAOYSA-N	2	1	325.460	2.793	50	30		EFEAMP
C=CCc1c(C)[nH+]c(N)nc1N1CCC(CCn2cc[nH+]c2C)CC1	ZINC000091325358	472757106	/nfs/dbraw/zinc/75/71/06/472757106.db2.gz	USGZOZXHAUBXST-UHFFFAOYSA-N	2	1	340.475	2.907	50	30		EFEAMP
N#C[C@H]1CCCN(Cc2ccc(OCCC[NH+]3CCOCC3)cc2)C1	ZINC000215929704	474139665	/nfs/dbraw/zinc/13/96/65/474139665.db2.gz	RZQNFDJVGFWTMT-LJQANCHMSA-N	2	1	343.471	2.523	50	30		EFEAMP
C=CC[N@@H+]1CCC[C@H]1C(=O)NC1(C[NH+]2CCCCC2)CCCCC1	ZINC000584889837	479273459	/nfs/dbraw/zinc/27/34/59/479273459.db2.gz	YUPZBOQOXASRMX-SFHVURJKSA-N	2	1	333.520	2.942	50	30		EFEAMP
C=CC[N@H+]1CCC[C@H]1C(=O)NC1(C[NH+]2CCCCC2)CCCCC1	ZINC000584889837	479273463	/nfs/dbraw/zinc/27/34/63/479273463.db2.gz	YUPZBOQOXASRMX-SFHVURJKSA-N	2	1	333.520	2.942	50	30		EFEAMP
C=C(C)CN(CC)C(=O)[C@H]1CCC[N@H+](C2CC[NH+](C(C)C)CC2)C1	ZINC000011764029	211245184	/nfs/dbraw/zinc/24/51/84/211245184.db2.gz	QGLHAQRXJYJUFI-SFHVURJKSA-N	2	1	335.536	2.996	50	30		EFEAMP
C=CCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1	ZINC000012597447	518918785	/nfs/dbraw/zinc/91/87/85/518918785.db2.gz	LACVCDQSBPYRJR-LJQANCHMSA-N	2	1	341.499	2.665	50	30		EFEAMP
C=CCNC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1	ZINC000012597447	518918791	/nfs/dbraw/zinc/91/87/91/518918791.db2.gz	LACVCDQSBPYRJR-LJQANCHMSA-N	2	1	341.499	2.665	50	30		EFEAMP
C=C(C)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCCCC3)C2)CC1	ZINC000952961470	1284917349	/nfs/dbraw/zinc/91/73/49/1284917349.db2.gz	JCQVEIUIYXMNIG-SFHVURJKSA-N	2	1	333.520	2.751	50	30		EFEAMP
C=C(C)C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](C3CCCCC3)C2)CC1	ZINC000952961470	1284917360	/nfs/dbraw/zinc/91/73/60/1284917360.db2.gz	JCQVEIUIYXMNIG-SFHVURJKSA-N	2	1	333.520	2.751	50	30		EFEAMP
N#C[C@@H]1CCCN(Cc2ccc(OCCC[NH+]3CCOCC3)cc2)C1	ZINC000215929750	474139738	/nfs/dbraw/zinc/13/97/38/474139738.db2.gz	RZQNFDJVGFWTMT-IBGZPJMESA-N	2	1	343.471	2.523	50	30		EFEAMP
Cc1[nH+]ccn1CC[C@H]1CCCC[N@@H+]1Cc1ccc(C#CCO)cc1	ZINC001506417974	1405759800	/nfs/dbraw/zinc/75/98/00/1405759800.db2.gz	CYSLAKASFWVSMK-OAQYLSRUSA-N	2	1	337.467	2.980	50	30		EFEAMP
Cc1[nH+]ccn1CC[C@H]1CCCC[N@H+]1Cc1ccc(C#CCO)cc1	ZINC001506417974	1405759806	/nfs/dbraw/zinc/75/98/06/1405759806.db2.gz	CYSLAKASFWVSMK-OAQYLSRUSA-N	2	1	337.467	2.980	50	30		EFEAMP
C=C(C)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCCCC3)C2)CC1	ZINC000952961469	1284917446	/nfs/dbraw/zinc/91/74/46/1284917446.db2.gz	JCQVEIUIYXMNIG-GOSISDBHSA-N	2	1	333.520	2.751	50	30		EFEAMP
C=C(C)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](C3CCCCC3)C2)CC1	ZINC000952961469	1284917449	/nfs/dbraw/zinc/91/74/49/1284917449.db2.gz	JCQVEIUIYXMNIG-GOSISDBHSA-N	2	1	333.520	2.751	50	30		EFEAMP
Cc1[nH+]ccn1CC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#CCO)cc1	ZINC001506417964	1405760003	/nfs/dbraw/zinc/76/00/03/1405760003.db2.gz	CYSLAKASFWVSMK-NRFANRHFSA-N	2	1	337.467	2.980	50	30		EFEAMP
Cc1[nH+]ccn1CC[C@@H]1CCCC[N@H+]1Cc1ccc(C#CCO)cc1	ZINC001506417964	1405760008	/nfs/dbraw/zinc/76/00/08/1405760008.db2.gz	CYSLAKASFWVSMK-NRFANRHFSA-N	2	1	337.467	2.980	50	30		EFEAMP
C=CCc1cc(C[NH+]2CCC3(CC2)C[N@@H+](C)CCN3C)ccc1OC	ZINC000067712632	215191059	/nfs/dbraw/zinc/19/10/59/215191059.db2.gz	DABVRIRVLIBPKW-UHFFFAOYSA-N	2	1	343.515	2.636	50	30		EFEAMP
C=C(C)COc1ccccc1C[N@H+]1CCN(C)C2(CC[NH+](C)CC2)C1	ZINC000067822059	215223329	/nfs/dbraw/zinc/22/33/29/215223329.db2.gz	JMBQCKWDVXPZDW-UHFFFAOYSA-N	2	1	343.515	2.853	50	30		EFEAMP
C=C(C)COc1ccccc1C[N@@H+]1CCN(C)C2(CC[NH+](C)CC2)C1	ZINC000067822059	215223332	/nfs/dbraw/zinc/22/33/32/215223332.db2.gz	JMBQCKWDVXPZDW-UHFFFAOYSA-N	2	1	343.515	2.853	50	30		EFEAMP
Cc1c[nH+]ccc1N1CCC[N@@H+](Cc2cc(C#CCO)cs2)CC1	ZINC000067879577	472103287	/nfs/dbraw/zinc/10/32/87/472103287.db2.gz	CMBQNAPQLBAKBG-UHFFFAOYSA-N	2	1	341.480	2.508	50	30		EFEAMP
C[NH+](C)Cc1cccc(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)[N@H+]2C)c1	ZINC000071759987	472562268	/nfs/dbraw/zinc/56/22/68/472562268.db2.gz	MZSFKTMGINFNAW-MAUKXSAKSA-N	2	1	347.466	2.955	50	30		EFEAMP