smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=NNc1ccccc1Cl)c1ccc(-n2cc[nH+]c2)cc1	ZINC000005071382	181201231	/nfs/dbraw/zinc/20/12/31/181201231.db2.gz	HKHLPQLYYSHIBN-DEDYPNTBSA-N	1	2	310.788	4.362	3	30		DIEFLO
Cc1cc(NN=Cc2ccc(Cl)cc2)c2cc(F)ccc2[nH+]1	ZINC000064237785	184293262	/nfs/dbraw/zinc/29/32/62/184293262.db2.gz	ZKBXLLOYWZCLRB-JMIUGGIZSA-N	1	2	313.763	4.204	1	30		DIEFLO
Cc1ccsc1/C=C1\C[NH2+]C/C(=C\c2sccc2C)C1=O	ZINC000072170965	191070014	/nfs/dbraw/zinc/07/00/14/191070014.db2.gz	PRPSJGMNBHDXDR-FNCQTZNRSA-N	1	2	315.463	4.066	1	30		DIEFLO
CC(=NNc1cc[nH+]c2cc(Cl)ccc12)c1ccc(O)cc1	ZINC000005479921	181248133	/nfs/dbraw/zinc/24/81/33/181248133.db2.gz	KHNDMUDJXXCKOW-JAIQZWGSSA-N	1	2	311.772	4.430	1	30		DIEFLO
Cc1cc(NN=Cc2ccccc2Cl)c2cc(F)ccc2[nH+]1	ZINC000064245764	184293154	/nfs/dbraw/zinc/29/31/54/184293154.db2.gz	MKHBWDWHTQBZAT-JMIUGGIZSA-N	1	2	313.763	4.204	1	30		DIEFLO
CC(=[NH+]Nc1ccnc2cc(Cl)ccc21)c1ccc(N)cc1	ZINC000023086635	182346815	/nfs/dbraw/zinc/34/68/15/182346815.db2.gz	SIXYGYZZIPIIQY-SRZZPIQSSA-N	1	2	310.788	4.307	1	30		DIEFLO
C[C@@H]1[NH+]=CN(Nc2cccc(Cl)c2)[C@@H]1c1cccc(C#N)c1	ZINC000029328874	182560934	/nfs/dbraw/zinc/56/09/34/182560934.db2.gz	YATJJFUFKKILHN-SJCJKPOMSA-N	1	2	310.788	4.012	1	30		DIEFLO
CSC(=CC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1)SC	ZINC000095574893	185380627	/nfs/dbraw/zinc/38/06/27/185380627.db2.gz	WPNBQWKOAYETOM-VMPITWQZSA-N	1	2	316.451	4.022	1	30		DIEFLO
Cc1ccc(/C=C2\C[NH2+]C/C(=C\c3ccc(C)s3)C2=O)s1	ZINC000072170767	191069221	/nfs/dbraw/zinc/06/92/21/191069221.db2.gz	QJEOPPOVNQRHSW-FNCQTZNRSA-N	1	2	315.463	4.066	1	30		DIEFLO
Cc1cc(NN=Cc2ccccc2[N+](=O)[O-])c2cc(F)ccc2[nH+]1	ZINC000045201063	183488800	/nfs/dbraw/zinc/48/88/00/183488800.db2.gz	KPNWRMUMYSIJNF-VXLYETTFSA-N	1	2	324.315	4.037	1	30		DIEFLO
FC(F)(F)c1ccc2[nH+]ccc(NN=Cc3ccccc3)c2c1	ZINC000045210517	183489726	/nfs/dbraw/zinc/48/97/26/183489726.db2.gz	VNZHZWYIOCTZHM-SSDVNMTOSA-N	1	2	315.298	4.122	1	30		DIEFLO
Cc1ccc2[nH+]c(-c3ccc(C#N)cc3)c(Cc3ccccn3)n2c1	ZINC000095571136	185380599	/nfs/dbraw/zinc/38/05/99/185380599.db2.gz	VNFNLHBOQAHXMF-UHFFFAOYSA-N	1	2	324.387	4.167	3	30		DIEFLO
CC(=NNc1cccc(Cl)c1)c1ccc(-n2cc[nH+]c2)cc1	ZINC000004864161	181164954	/nfs/dbraw/zinc/16/49/54/181164954.db2.gz	HLMZHKZGHOWATD-DEDYPNTBSA-N	1	2	310.788	4.362	3	30		DIEFLO
O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)c(F)c1	ZINC000020620989	182239065	/nfs/dbraw/zinc/23/90/65/182239065.db2.gz	STMZKJBVYUUDPD-FPYGCLRLSA-N	1	2	310.303	4.047	1	30		DIEFLO
N#Cc1ccc2[nH+]c(Nc3ccc(Cl)c(Cl)c3)[nH]c2c1	ZINC000040392420	183059919	/nfs/dbraw/zinc/05/99/19/183059919.db2.gz	FEFJWCOMSSPTNR-UHFFFAOYSA-N	1	2	303.152	4.485	1	30		DIEFLO
FC(F)(F)c1ccc2[nH+]ccc(NN=Cc3ccccc3)c2c1	ZINC000064622116	184301922	/nfs/dbraw/zinc/30/19/22/184301922.db2.gz	VNZHZWYIOCTZHM-JJFYIABZSA-N	1	2	315.298	4.122	1	30		DIEFLO