smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C1NNC(=O)C1=NNc1ccccc1OC	ZINC000100101504	175315941	/nfs/dbraw/zinc/31/59/41/175315941.db2.gz	NRCCLBAIQUIZDX-BUHFOSPRSA-N	0	1	232.243	2.848	50	10		BFCAMN
CC(C)(C)[NH2+]Cc1cc(Cl)ccc1[O-]	ZINC000021956324	343030290	/nfs/dbraw/zinc/03/02/90/343030290.db2.gz	KDCWIDUSACNKIF-UHFFFAOYSA-N	0	1	213.708	2.934	50	10		BFCAMN
CCCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1[O-]	ZINC000023281852	343063227	/nfs/dbraw/zinc/06/32/27/343063227.db2.gz	XZVFSEJMBXUCBM-UHFFFAOYSA-N	0	1	238.287	2.532	50	10		BFCAMN
[O-]c1ccc(Cl)cc1C[NH2+]Cc1ccccn1	ZINC000004677106	183274026	/nfs/dbraw/zinc/27/40/26/183274026.db2.gz	VHMYBSHHJAHTSQ-UHFFFAOYSA-N	0	1	248.713	2.730	50	10		BFCAMN
[O-]c1c(C[NH+]2CCCCC2)ccc2cccnc21	ZINC000019791718	183253029	/nfs/dbraw/zinc/25/30/29/183253029.db2.gz	WXMFPLZGDXLEMN-UHFFFAOYSA-N	0	1	242.322	2.926	50	10		BFCAMN
C[C@@H]1C[C@@H](C)CN(c2ccc(N)cc2)C1	ZINC000004678725	132316613	/nfs/dbraw/zinc/31/66/13/132316613.db2.gz	OASMPJKZOCFNCC-GHMZBOCLSA-N	0	1	204.317	2.751	50	10		BFCAMN
CCCC[NH2+]Cc1c([O-])cccc1Cl	ZINC000083551193	491126421	/nfs/dbraw/zinc/12/64/21/491126421.db2.gz	ACZHRLIKZKQGNZ-UHFFFAOYSA-N	0	1	213.708	2.935	50	10		BFCAMN
C[C@@H]1C[C@H](C)CN(c2ccc(N)cc2)C1	ZINC000012410342	132321251	/nfs/dbraw/zinc/32/12/51/132321251.db2.gz	OASMPJKZOCFNCC-PHIMTYICSA-N	0	1	204.317	2.751	50	10		BFCAMN
COc1ccc(NN=C2C(C)=NN(C)C2=O)cc1	ZINC000017120024	175049730	/nfs/dbraw/zinc/04/97/30/175049730.db2.gz	AJKBCNTWPSGUSQ-BUHFOSPRSA-N	0	1	246.270	2.858	50	10		BFCAMN
N#[N+]C=C([O-])C(c1ccccc1)c1ccccc1	ZINC000004729654	183317255	/nfs/dbraw/zinc/31/72/55/183317255.db2.gz	BQGNYAJDSVQYDX-UHFFFAOYSA-N	0	1	236.274	2.688	50	10		BFCAMN
[NH3+]Cc1cc(Cl)c2ccccc2c1[O-]	ZINC000027655996	387258127	/nfs/dbraw/zinc/25/81/27/387258127.db2.gz	YDCQHJGVCARFQQ-UHFFFAOYSA-N	0	1	207.660	2.658	50	10		BFCAMN
CN(C)c1ccc(CNCc2ccco2)cc1	ZINC000000265974	342681640	/nfs/dbraw/zinc/68/16/40/342681640.db2.gz	CTIJIFPFXXKIKH-UHFFFAOYSA-N	0	1	230.311	2.635	50	10		BFCAMN
CC[NH+](CC)Cc1c([O-])cccc1Cl	ZINC000162567866	384645460	/nfs/dbraw/zinc/64/54/60/384645460.db2.gz	SEVRVSNAVDHAMU-UHFFFAOYSA-N	0	1	213.708	2.887	50	10		BFCAMN
Cc1oc2ccc([O-])c(C[NH+](C)C)c2c1[C@H](C)O	ZINC000022147247	343911687	/nfs/dbraw/zinc/91/16/87/343911687.db2.gz	JPDWRGSLRNWIFT-QMMMGPOBSA-N	0	1	249.310	2.562	50	10		BFCAMN
[O-]c1ccc(Cl)cc1C[NH2+]Cc1ccco1	ZINC000004700398	183274162	/nfs/dbraw/zinc/27/41/62/183274162.db2.gz	VVEGPKWEXYDYTF-UHFFFAOYSA-N	0	1	237.686	2.928	50	10		BFCAMN
CCOC(=O)c1sc2ccccc2c1O	ZINC000011692174	170311209	/nfs/dbraw/zinc/31/12/09/170311209.db2.gz	KRXONUVWZRBHQR-UHFFFAOYSA-N	0	1	222.265	2.784	50	10		BFCAMN
Oc1ccccc1CNc1ccc2c[nH]nc2c1	ZINC000096781091	183303121	/nfs/dbraw/zinc/30/31/21/183303121.db2.gz	GTCHVSFRVNLLMH-UHFFFAOYSA-N	0	1	239.278	2.881	50	10		BFCAMN
CCN(CC)c1ccc2c(c1)CCCN2	ZINC000002475162	169805105	/nfs/dbraw/zinc/80/51/05/169805105.db2.gz	FYGOFJOKQVNYIE-UHFFFAOYSA-N	0	1	204.317	2.891	50	10		BFCAMN
COC(=O)c1sc(-c2ccccc2)cc1O	ZINC000009740342	342826358	/nfs/dbraw/zinc/82/63/58/342826358.db2.gz	NFOGATBBXLOEOE-UHFFFAOYSA-N	0	1	234.276	2.907	50	10		BFCAMN
[O-]c1ccc(Cl)cc1C[NH2+]Cc1cccnc1	ZINC000000819554	183273196	/nfs/dbraw/zinc/27/31/96/183273196.db2.gz	LYQTWMKUOWGJJM-UHFFFAOYSA-N	0	1	248.713	2.730	50	10		BFCAMN
CCOC(=O)C(N=Nc1ccccc1)=C(C)N	ZINC000033940555	170183617	/nfs/dbraw/zinc/18/36/17/170183617.db2.gz	MWZFJJCRZIMLME-DVRQTUGZSA-N	0	1	233.271	2.524	50	10		BFCAMN
Cc1oc2ccc([O-])c(C[NH+](C)C)c2c1[C@@H](C)O	ZINC000022147243	350082110	/nfs/dbraw/zinc/08/21/10/350082110.db2.gz	JPDWRGSLRNWIFT-MRVPVSSYSA-N	0	1	249.310	2.562	50	10		BFCAMN
Nc1ccc(Nc2nc3ccccc3[nH]2)cc1	ZINC000008467127	342799157	/nfs/dbraw/zinc/79/91/57/342799157.db2.gz	QTKVVJXYEASQLY-UHFFFAOYSA-N	0	1	224.267	2.889	50	10		BFCAMN
CC[NH2+]Cc1cc(-c2cccnc2)ccc1[O-]	ZINC000014988498	363384514	/nfs/dbraw/zinc/38/45/14/363384514.db2.gz	PFNDGFIPODIMDJ-UHFFFAOYSA-N	0	1	228.295	2.564	50	10		BFCAMN
C[C@H]1C[C@H](C)CN(c2ccc(N)cc2)C1	ZINC000004678724	132316745	/nfs/dbraw/zinc/31/67/45/132316745.db2.gz	OASMPJKZOCFNCC-QWRGUYRKSA-N	0	1	204.317	2.751	50	10		BFCAMN