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]1CCCN(C2CC[NH+](C(C)C)CC2)C1	ZINC000011764020	211245175	/nfs/dbraw/zinc/24/51/75/211245175.db2.gz	QGLHAQRXJYJUFI-GOSISDBHSA-N	1	3	335.536	2.996	50	30		EFEAHO
COc1ccc(C[N+](=O)C2N(C)C(=S)SC2(C)C)cc1OC	ZINC000004785784	210278084	/nfs/dbraw/zinc/27/80/84/210278084.db2.gz	UUCHRGQESIXBCZ-OLWAXZHHSA-N	1	3	340.470	2.701	50	30		EFEAHO
CN1C(=S)SC([N+](=O)C=CCc2ccc([N+](=O)[O-])o2)C1(C)C	ZINC000004785529	471475494	/nfs/dbraw/zinc/47/54/94/471475494.db2.gz	ZBCYQLXJWJSPLI-SUBRXADHSA-N	1	3	341.414	2.850	50	30		EFEAHO
C=C(C)CN(CC)C(=O)[C@H]1CCCN(C2CC[NH+](C(C)C)CC2)C1	ZINC000011764029	211245192	/nfs/dbraw/zinc/24/51/92/211245192.db2.gz	QGLHAQRXJYJUFI-SFHVURJKSA-N	1	3	335.536	2.996	50	30		EFEAHO
CN1C(=S)SC([N+](=O)C=CCc2ccc([N+](=O)[O-])o2)C1(C)C	ZINC000004785530	523736741	/nfs/dbraw/zinc/73/67/41/523736741.db2.gz	ZBCYQLXJWJSPLI-UAINKPMTSA-N	1	3	341.414	2.850	50	30		EFEAHO
CN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000001309763	471385204	/nfs/dbraw/zinc/38/52/04/471385204.db2.gz	CJDCUEUQJDOLDW-LWHXSLQUSA-N	1	3	325.415	2.592	50	30		EFEAHO
COC(=O)C(CC#CCN1CCCCC1)CC#CC[NH+]1CCCCC1	ZINC000005526119	471510271	/nfs/dbraw/zinc/51/02/71/471510271.db2.gz	JDUJBVOEZDUVJI-UHFFFAOYSA-N	1	3	344.499	2.534	50	30		EFEAHO
CN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000001309761	471384606	/nfs/dbraw/zinc/38/46/06/471384606.db2.gz	CJDCUEUQJDOLDW-SHLUWWQESA-N	1	3	325.415	2.592	50	30		EFEAHO
CN1C(=S)SC(C)(C)C1[N+](=O)Cc1cccc([N+](=O)[O-])c1	ZINC000001306805	471385340	/nfs/dbraw/zinc/38/53/40/471385340.db2.gz	JTIBQTMTDWDUTR-LWHXSLQUSA-N	1	3	325.415	2.592	50	30		EFEAHO
COc1ccc(C[N+](=O)C2N(C)C(=S)SC2(C)C)cc1OC	ZINC000004785785	471474607	/nfs/dbraw/zinc/47/46/07/471474607.db2.gz	UUCHRGQESIXBCZ-ZLYHGVDXSA-N	1	3	340.470	2.701	50	30		EFEAHO
Cc1nc(-c2c(O)cn(C3CC(C)(C)[NH2+]C(C)(C)C3)c2N)sc1C	ZINC000013685619	471839088	/nfs/dbraw/zinc/83/90/88/471839088.db2.gz	GNEIBFOBEPPESP-UHFFFAOYSA-N	1	3	348.516	2.581	50	30		EFEAHO
CN1C(=S)SC(C)(C)C1[N+](=O)Cc1cccc([N+](=O)[O-])c1	ZINC000001306803	471385587	/nfs/dbraw/zinc/38/55/87/471385587.db2.gz	JTIBQTMTDWDUTR-SHLUWWQESA-N	1	3	325.415	2.592	50	30		EFEAHO
CCC[NH+]1CCC(N[C@@H]2CCOC[C@H]2Oc2ccc(C#N)cc2)CC1	ZINC000219537647	241395130	/nfs/dbraw/zinc/39/51/30/241395130.db2.gz	SAGLIORNDLXIID-WOJBJXKFSA-N	1	3	343.471	2.559	50	30		EFEAHO
N#Cc1c(N)nc2c(c1-c1cc(CN3CCCC3)cs1)C[NH2+]CC2	ZINC000072126651	203164601	/nfs/dbraw/zinc/16/46/01/203164601.db2.gz	QFRGWTWDKWBDRO-UHFFFAOYSA-N	1	3	339.468	2.505	50	30		EFEAHO
C#CCOc1c(CN2CCC3(CC[NH2+]CC3)CC2)cccc1OC	ZINC000072164827	216054328	/nfs/dbraw/zinc/05/43/28/216054328.db2.gz	HGYBCPAQMYHPJP-UHFFFAOYSA-N	1	3	328.456	2.673	50	30		EFEAHO
C=C(C)COc1cccc(C[NH+]2CCC(n3cc(CN)nn3)CC2)c1	ZINC000023619222	212385915	/nfs/dbraw/zinc/38/59/15/212385915.db2.gz	JQCQZEWJJYIAAH-UHFFFAOYSA-N	1	3	341.459	2.529	50	30		EFEAHO
C=CCc1cc(CN2CCC3(CC2)C[N@H+](C)CCN3C)ccc1OC	ZINC000067712632	215191063	/nfs/dbraw/zinc/19/10/63/215191063.db2.gz	DABVRIRVLIBPKW-UHFFFAOYSA-N	1	3	343.515	2.636	50	30		EFEAHO
C=CCc1cc(CN2CCC3(CC2)C[N@@H+](C)CCN3C)ccc1OC	ZINC000067712632	215191067	/nfs/dbraw/zinc/19/10/67/215191067.db2.gz	DABVRIRVLIBPKW-UHFFFAOYSA-N	1	3	343.515	2.636	50	30		EFEAHO
Cc1c[nH+]ccc1N1CCCN(Cc2cc(C#CCO)cs2)CC1	ZINC000067879577	472103292	/nfs/dbraw/zinc/10/32/92/472103292.db2.gz	CMBQNAPQLBAKBG-UHFFFAOYSA-N	1	3	341.480	2.508	50	30		EFEAHO
CN1[C@@H]2CC[C@H]1Cc1nc(N)c(C#N)c(-c3cccc(C[NH+](C)C)c3)c12	ZINC000071759987	472562273	/nfs/dbraw/zinc/56/22/73/472562273.db2.gz	MZSFKTMGINFNAW-MAUKXSAKSA-N	1	3	347.466	2.955	50	30		EFEAHO