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)CC[C@H](C)N1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1	ZINC000012307818	518589357	/nfs/dbraw/zinc/58/93/57/518589357.db2.gz	RIQFAJAAVDRRQX-FQEVSTJZSA-N	1	3	398.595	3.619	50	30		GHEAHO
C=C(C)CN(C)Cc1ccc(OC[C@H](O)C[NH+]2CCCCCCC2)c(OC)c1	ZINC000012714745	518589838	/nfs/dbraw/zinc/58/98/38/518589838.db2.gz	YQIHLXTXHXIGFV-OAQYLSRUSA-N	1	3	390.568	3.709	50	30		GHEAHO
CC1(C)CC(n2cc(O)c(-c3nc(-c4ccccc4)cs3)c2N)CC(C)(C)[NH2+]1	ZINC000009576532	520283659	/nfs/dbraw/zinc/28/36/59/520283659.db2.gz	HMQREGIPXMADGF-UHFFFAOYSA-N	1	3	396.560	3.631	50	30		GHEAHO
C=C(C)CN(C)Cc1ccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)c(OC)c1	ZINC000012591875	570237789	/nfs/dbraw/zinc/23/77/89/570237789.db2.gz	ISFJEZTVFRHGCT-NRFANRHFSA-N	1	3	390.568	3.707	50	30		GHEAHO
C=C(C)CN(C)Cc1ccc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c(OC)c1	ZINC000012591875	570237792	/nfs/dbraw/zinc/23/77/92/570237792.db2.gz	ISFJEZTVFRHGCT-NRFANRHFSA-N	1	3	390.568	3.707	50	30		GHEAHO
C=C(C)CC[C@@H](C)N1CCC([NH+]2CCC(C(=O)NCc3ccccn3)CC2)CC1	ZINC000011938637	570234645	/nfs/dbraw/zinc/23/46/45/570234645.db2.gz	WPLBDFLWSRYDLC-HXUWFJFHSA-N	1	3	398.595	3.619	50	30		GHEAHO
CCCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccc(OC)c(OC)c1	ZINC000002260918	520568324	/nfs/dbraw/zinc/56/83/24/520568324.db2.gz	DQEKOZLEFRHNAC-SDLDRHLBSA-N	1	3	382.551	3.872	50	30		GHEAHO
C=C(C)CC[C@H](C)N1CCC([NH+]2CCC(C(=O)NCc3ccccn3)CC2)CC1	ZINC000011938636	570234512	/nfs/dbraw/zinc/23/45/12/570234512.db2.gz	WPLBDFLWSRYDLC-FQEVSTJZSA-N	1	3	398.595	3.619	50	30		GHEAHO
C=C(C)CN(C)Cc1ccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)c(OC)c1	ZINC000012591881	570237612	/nfs/dbraw/zinc/23/76/12/570237612.db2.gz	ISFJEZTVFRHGCT-OAQYLSRUSA-N	1	3	390.568	3.707	50	30		GHEAHO
C=C(C)CN(C)Cc1ccc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c(OC)c1	ZINC000012591881	570237615	/nfs/dbraw/zinc/23/76/15/570237615.db2.gz	ISFJEZTVFRHGCT-OAQYLSRUSA-N	1	3	390.568	3.707	50	30		GHEAHO
C=CCCC(=O)N(CCN1CCCCC1)C[C@H]1CCC[N@@H+](C2CCCC2)C1	ZINC000012594250	859447807	/nfs/dbraw/zinc/44/78/07/859447807.db2.gz	DRGBJAZJZKWUBX-NRFANRHFSA-N	1	3	375.601	3.922	50	30		GHEAHO
C=CCCC(=O)N(CCN1CCCCC1)C[C@H]1CCC[N@H+](C2CCCC2)C1	ZINC000012594250	859447809	/nfs/dbraw/zinc/44/78/09/859447809.db2.gz	DRGBJAZJZKWUBX-NRFANRHFSA-N	1	3	375.601	3.922	50	30		GHEAHO
C=C(C)CC[C@@H](C)N1CCC([NH+]2CCC(C(=O)NCc3cccnc3)CC2)CC1	ZINC000012307819	518589469	/nfs/dbraw/zinc/58/94/69/518589469.db2.gz	RIQFAJAAVDRRQX-HXUWFJFHSA-N	1	3	398.595	3.619	50	30		GHEAHO
C=CCCC(=O)N(CCN1CCCCC1)C[C@@H]1CCC[N@@H+](C2CCCC2)C1	ZINC000012594245	859448062	/nfs/dbraw/zinc/44/80/62/859448062.db2.gz	DRGBJAZJZKWUBX-OAQYLSRUSA-N	1	3	375.601	3.922	50	30		GHEAHO
C=CCCC(=O)N(CCN1CCCCC1)C[C@@H]1CCC[N@H+](C2CCCC2)C1	ZINC000012594245	859448072	/nfs/dbraw/zinc/44/80/72/859448072.db2.gz	DRGBJAZJZKWUBX-OAQYLSRUSA-N	1	3	375.601	3.922	50	30		GHEAHO
C=CCN(CC=C)Cc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1	ZINC000015062805	570246877	/nfs/dbraw/zinc/24/68/77/570246877.db2.gz	BRHHNBGIJOYTIW-HSZRJFAPSA-N	1	3	380.532	3.732	50	30		GHEAHO
C=CCN(CC=C)Cc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccccc2)cc1	ZINC000015062805	570246879	/nfs/dbraw/zinc/24/68/79/570246879.db2.gz	BRHHNBGIJOYTIW-HSZRJFAPSA-N	1	3	380.532	3.732	50	30		GHEAHO
C=C(C)CN(C)Cc1ccc(OC[C@@H](O)C[NH+]2CCCCCCC2)c(OC)c1	ZINC000012714742	518589502	/nfs/dbraw/zinc/58/95/02/518589502.db2.gz	YQIHLXTXHXIGFV-NRFANRHFSA-N	1	3	390.568	3.709	50	30		GHEAHO
Cc1ccc(CN2CCC(C[N@@H+](C)Cc3ccc(C#CCCO)cc3)CC2)o1	ZINC000012304214	524438426	/nfs/dbraw/zinc/43/84/26/524438426.db2.gz	LAMFMIFJSKIAJS-UHFFFAOYSA-N	1	3	380.532	3.666	50	30		GHEAHO
Cc1ccc(CN2CCC(C[N@H+](C)Cc3ccc(C#CCCO)cc3)CC2)o1	ZINC000012304214	524438437	/nfs/dbraw/zinc/43/84/37/524438437.db2.gz	LAMFMIFJSKIAJS-UHFFFAOYSA-N	1	3	380.532	3.666	50	30		GHEAHO
C[NH+](C)C1(Cn2cc(O)c(-c3nc(-c4ccccc4)cs3)c2N)CCCCC1	ZINC000013692852	524035587	/nfs/dbraw/zinc/03/55/87/524035587.db2.gz	AKJHTTKTRANNKH-UHFFFAOYSA-N	1	3	396.560	3.587	50	30		GHEAHO
CCCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccc(OC)c(OC)c1	ZINC000002260917	520567341	/nfs/dbraw/zinc/56/73/41/520567341.db2.gz	DQEKOZLEFRHNAC-DEFALTHMSA-N	1	3	382.551	3.872	50	30		GHEAHO
C=CCN(CC=C)Cc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1	ZINC000015062806	570246161	/nfs/dbraw/zinc/24/61/61/570246161.db2.gz	BRHHNBGIJOYTIW-QHCPKHFHSA-N	1	3	380.532	3.732	50	30		GHEAHO
C=CCN(CC=C)Cc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1	ZINC000015062806	570246165	/nfs/dbraw/zinc/24/61/65/570246165.db2.gz	BRHHNBGIJOYTIW-QHCPKHFHSA-N	1	3	380.532	3.732	50	30		GHEAHO