smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)CCCC#CC[NH+]1CCCC1	ZINC000001689782	346464098	/nfs/dbraw/zinc/46/40/98/346464098.db2.gz	QOCRDZQDEHRKSS-UHFFFAOYSA-N	2	0	222.376	2.208	40	30		BEEBRP
C=CCOP([NH2+]C(C)C)[NH2+]C(C)C	ZINC000604252042	346775848	/nfs/dbraw/zinc/77/58/48/346775848.db2.gz	HXMUDJOITBCMQD-UHFFFAOYSA-N	2	0	204.254	2.412	40	30		BEEBRP
C=CC[NH+](CC=C)CC1CCC(C[NH3+])CC1	ZINC000086478663	166334134	/nfs/dbraw/zinc/33/41/34/166334134.db2.gz	OOUQOGNNXCLVBC-UHFFFAOYSA-N	2	0	222.376	2.426	40	30		BEEBRP
CC1CC[NH+](CC#CC[NH+]2CCC(C)CC2)CC1	ZINC000001599824	168178028	/nfs/dbraw/zinc/17/80/28/168178028.db2.gz	SNISDSGGZVGUIM-UHFFFAOYSA-N	2	0	248.414	2.454	40	30		BEEBRP
C=CCOC(C[NH+](CC)CC)C[NH+](CC)CC	ZINC000001604131	383913227	/nfs/dbraw/zinc/91/32/27/383913227.db2.gz	YKZRGMMOCCAKDL-UHFFFAOYSA-N	2	0	242.407	2.241	40	30		BEEBRP
CC[N@H+](Cc1ccc(C#N)cc1)C1CC[NH2+]CC1	ZINC000037538095	1170954432	/nfs/dbraw/zinc/95/44/32/1170954432.db2.gz	QDEDVIUCRHRQJM-UHFFFAOYSA-N	2	0	243.354	2.132	40	30		BEEBRP
C[N+](C)=C/C=C(\C=C\[NH+](C)C)c1ccccc1	ZINC000016163011	172350104	/nfs/dbraw/zinc/35/01/04/172350104.db2.gz	AONWOPBEPZVMKM-UHFFFAOYSA-N	2	0	229.347	2.488	40	30		BEEBRP
CCCCCNC(=[NH2+])C(=[NH2+])NCCCCC	ZINC000001673360	383921305	/nfs/dbraw/zinc/92/13/05/383921305.db2.gz	YGNNWTQYSXKWIR-UHFFFAOYSA-N	2	0	226.368	2.291	40	30		BEEBRP
C[C@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@H](C)C2)C1	ZINC000005742841	177096109	/nfs/dbraw/zinc/09/61/09/177096109.db2.gz	JLVLYPRQDMRODM-HOTGVXAUSA-N	2	0	248.414	2.454	40	30		BEEBRP
C[S+](C)c1ccc([S+](C)C)cc1	ZINC000004268292	397922154	/nfs/dbraw/zinc/92/21/54/397922154.db2.gz	WYJAFCCFLITBBM-UHFFFAOYSA-N	2	0	200.372	2.160	40	30		BEEBRP
C[C@@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@H](C)C2)C1	ZINC000005742840	177096410	/nfs/dbraw/zinc/09/64/10/177096410.db2.gz	JLVLYPRQDMRODM-IYBDPMFKSA-N	2	0	248.414	2.454	40	30		BEEBRP